Basic information
- CAS
108985-27-9- Standard SMILES
CCCCCCCC1=Nc2ccccc2C(=O)C1O- InChIKey
IRNQEHWHRAZAPL-UHFFFAOYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
- Monoisotopic mass
- 259.15722891
Names & identifiers
- Preferred name
- 2-heptyl-3-hydroxyquinolin-4(1H)-one
- IUPAC
- 2-heptyl-3-hydroxy-3H-quinolin-4-one
- English name
- 2-Heptyl-3-hydroxy-4-quinolone
- Molecular formula
- C16H21NO2
- Molecular weight
- 259.34
Names & synonyms
2-heptyl-3-hydroxyquinolin-4(1H)-oneRefChem:472838663-955-82-heptyl-3-hydroxy-3H-quinolin-4-one2-Heptyl-3-hydroxyl-4-quinolone2-heptyl-3-hydroxy-3,4-dihydroquinolin-4-one2-Heptyl-3-hydroxyquinolin-4(3H)-oneACMC-20mby7AC1L9ENZ4(1H)-Quinolinone,2-heptyl-3-hydroxy-SureCN130920SCHEMBL130920
Show more names
PQSZZR Impurity 141Pseudomonas quinolone signal2-Heptyl-3-hydroxy-4-quinolone2-Heptyl-3-hydroxy-4-quinolinone2-heptyl-3-hydroxy-4-quinolineonePseudomonas Quinolone Signal, PQS2-Heptyl-3-hydroxy-4(1H)-quinolone2-Heptyl-3-hydroxy-4(1H)-quinolinone
orb1692064DTXSID10332086MFCD23701463AKOS016009667AS-62616DB-059803T38373F237365
Database identifiers
- CAS
108985-27-9- PubChem CID
- 443441
- DTXSID
DTXSID10332086- EC Number
- 663-955-8
- Nikkaji
- J147.303D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 182 · 182-185℃
- Boiling point
- 389.4 · 389.4±42.0 °C(Predicted)
- Density
- 1.102 · 1.102
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol: soluble
- form
- A solid
- pka
- 11 · 11.00±0.20(Predicted)
- color
- White to light brown
- InChI
- 1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
- InChIKey
- CEIUIHOQDSVZJQ-UHFFFAOYSA-N
- SMILES
- CCCCCCCC1=C(O)C(=O)c2ccccc2N1
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 · Aquatic Chronic 4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (95.1%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (95.1%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesQuorum sensing is a signaling system used by bacteria to coordinate activity based upon their population density. The system involves the exchange of signaling molecules among bacteria via cell receptors. Heptyl-3-hydroxy-4(1H)-quinolone (PQS) is a quorum sensing-regulated virulence factor used to induce and study the regulation of virulence genes such as those involved in iron scavenging.
General Description2-heptyl-3-hydroxy-4-quinolone can function as an intercellular signal.
Suppliers56 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
厦门欣达诺生物科技有限公司0592-6266840 15750707980 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南通嘉星泰生物科技有限公司18795782766 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
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上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
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Compound notes
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