Basic information
- Standard SMILES
CCOC(=O)c1c[nH]c2c(OC)cccc2c1=O- InChIKey
HCYNWEIHLHVPEW-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylate
- IUPAC
- ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate
- English name
- 4-Hydroxy-8-methoxy-quinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C13H13NO4
- Molecular weight
- 247.25
Names & synonyms
Ethyl 4-hydroxy-8-methoxyquinoline-3-carboxylateRefChem:595444803-472-327568-04-371082-34-3Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylateAURORA 17729ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate8-Methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester4-Hydroxy-8-methoxyquinoline-3-carboxylic acid ethyl esterMFCD018294123-Quinolinecarboxylic acid, 4-hydroxy-8-methoxy-, ethyl ester
Show more names
NSC 196905BUTTPARK 20\09-65ETHYL 4-HYDROXY-8-METHOXY-3-QUINOLINECARBOXYLATE2-ethyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylateEthyl 1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylate4-keto-8-methoxy-1H-quinoline-3-carboxylic acid ethyl ester
MFCD001733824-Hydroxy-8-methoxy-quinoline-3-carboxylic acid ethyl esterNSC196905Oprea1_108159Oprea1_177673Oprea1_292837SCHEMBL774558SCHEMBL4721440
Database identifiers
- CAS
27568-04-3- PubChem CID
- 304556
- DTXSID
DTXSID80950236- EC Number
- 803-472-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 373.2 · 373.2±37.0 °C(Predicted)
- Density
- 1.277 · 1.277
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 2.72 · 2.72±0.50(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- 1S/C13H13NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-7H,3H2,1-2H3,(H,14,15)
- InChIKey
- HCYNWEIHLHVPEW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cnc2c(OC)cccc2c1O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26-24/25
- WGK Germany
- 3 · 3
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers50 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
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陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
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Related reactions
1 records
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