Basic information
- CAS
2721-59-7- Standard SMILES
Cc1cc2ccccc2[nH]c1=O- InChIKey
POYSUXIHCXBJPN-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Names & identifiers
- Preferred name
- 3-methylquinolin-2(1H)-one
- IUPAC
- 3-methyl-1H-quinolin-2-one
- English name
- 3-Methylquinolin-2-one
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
CHEBI:20114RefChem:10683313-methylquinolin-2(1H)-one2721-59-73-methyl-1,2-dihydroquinolin-2-one3-METHYLQUINOLIN-2-ONE3-methyl-1H-quinolin-2-one3-Methylcarbostyril2(1H)-Quinolinone, 3-methyl-2-Hydroxy-3-methylquinoline3-methyl-2-quinolone3-methylquinolin-2-ol
Show more names
3-methyl-3H-quinolin-2-one3-Methyl-1,2-dihydroquinoline-2-one
3-Methyl-2-oxo-1,2-dihydroquinoline3-Methyl-2-quinolinone3-Methyl-quinolin-2-ol3-Methylhydroquinolin-2-oneCHEMBL3586688Carbostyril, 3-methyl-methylquinolone3-Methyl-2(1H)-quinolinone
Database identifiers
- CAS
2721-59-7- PubChem CID
- 440987
- DTXSID
DTXSID90949939- ChEMBL
CHEMBL3586688- ChEBI
CHEBI:1588- EC Number
- 188-580-2
- Nikkaji
- J112.924D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 234 · 234-235 °C
- Boiling point
- 346 · 346.0±35.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.84 · 11.84±0.70(Predicted)
- LogP
- 1.85 · 1.850 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Applications
Uses3-Methylcarbostyril (compound 5) is a BRD4 BD1 inhibitor with a pIC50 of 4.4[1].
Suppliers14 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海启智医药科技有限公司021-54849683 13601642561 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
苏州冉酶生物科技有限公司0512-0512-62793604 18015430729 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Additional notes
DefinitionChEBI: 3-Methyl-quinolin-2-ol is a quinolone.
Related reactions
1 records
Compound notes
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