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

C12H11NO3 — CID 54697138

IUPAC3-acetyl-4-hydroxy-1-methylquinolin-2-one
SMILESCC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H11NO3/c1-7(14)10-11(15)8-5-3-4-6-9(8)13(2)12(10)16/h3-6,15H,1-2H3
InChIKeyNGXLZSYWEVIMPO-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.45
Rot. Bonds1

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

3-acetyl-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54697138) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-methylquinolin-2-one
PubChem CID54697138
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-acetyl-4-hydroxy-1-methylquinolin-2-one
SMILESCC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C12H11NO3/c1-7(14)10-11(15)8-5-3-4-6-9(8)13(2)12(10)16/h3-6,15H,1-2H3
InChIKeyNGXLZSYWEVIMPO-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

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Related Compounds

4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
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
3-ethanehydrazonoyl-4-hydroxy-1-methylquinolin-2-one
CID 135454306
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
[(E)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)ethylideneamino]urea
CID 135482677
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-methylquinolin-2-one (CID 54697138) is 3-acetyl-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-methylquinolin-2-one is CC(=O)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is NGXLZSYWEVIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7(14)10-11(15)8-5-3-4-6-9(8)13(2)12(10)16/h3-6,15H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-1-methylquinolin-2-one?
3-acetyl-4-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 3-acetyl-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54697138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).