4-acetyl-3-hydroxy-1-methylquinolin-2-one

C12H11NO3 — CID 134987022

IUPAC4-acetyl-3-hydroxy-1-methylquinolin-2-one
SMILESCC(=O)c1c(O)c(=O)n(C)c2ccccc12
InChIInChI=1S/C12H11NO3/c1-7(14)10-8-5-3-4-6-9(8)13(2)12(16)11(10)15/h3-6,15H,1-2H3
InChIKeyGKMFWASECKZYGR-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.45
Rot. Bonds1

About 4-acetyl-3-hydroxy-1-methylquinolin-2-one

4-acetyl-3-hydroxy-1-methylquinolin-2-one (PubChem CID 134987022) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-acetyl-3-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-acetyl-3-hydroxy-1-methylquinolin-2-one
PubChem CID134987022
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-acetyl-3-hydroxy-1-methylquinolin-2-one
SMILESCC(=O)c1c(O)c(=O)n(C)c2ccccc12
InChIInChI=1S/C12H11NO3/c1-7(14)10-8-5-3-4-6-9(8)13(2)12(16)11(10)15/h3-6,15H,1-2H3
InChIKeyGKMFWASECKZYGR-UHFFFAOYSA-N
XLogP1.45
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-3-hydroxy-1-methylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 90355399
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
1-(2-tert-butyl-1-methylindol-3-yl)ethanone
CID 101348045
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide
CID 90355740
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide
CID 90355060
3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide
CID 90355439
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 4-acetyl-3-hydroxy-1-methylquinolin-2-one (CID 134987022) is 4-acetyl-3-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 4-acetyl-3-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 4-acetyl-3-hydroxy-1-methylquinolin-2-one is CC(=O)c1c(O)c(=O)n(C)c2ccccc12.
What is the InChIKey of 4-acetyl-3-hydroxy-1-methylquinolin-2-one?
The InChIKey is GKMFWASECKZYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7(14)10-8-5-3-4-6-9(8)13(2)12(16)11(10)15/h3-6,15H,1-2H3.
What are the key properties of 4-acetyl-3-hydroxy-1-methylquinolin-2-one?
4-acetyl-3-hydroxy-1-methylquinolin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 134987022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).