1-(3-hydroxy-4-methylquinolin-2-yl)ethanone

C12H11NO2 — CID 134989412

IUPAC1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
SMILESCC(=O)c1nc2ccccc2c(C)c1O
InChIInChI=1S/C12H11NO2/c1-7-9-5-3-4-6-10(9)13-11(8(2)14)12(7)15/h3-6,15H,1-2H3
InChIKeyKTPOMMLXEQYBAL-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.45
Rot. Bonds1

About 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone

1-(3-hydroxy-4-methylquinolin-2-yl)ethanone (PubChem CID 134989412) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
PubChem CID134989412
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(3-hydroxy-4-methylquinolin-2-yl)ethanone
SMILESCC(=O)c1nc2ccccc2c(C)c1O
InChIInChI=1S/C12H11NO2/c1-7-9-5-3-4-6-10(9)13-11(8(2)14)12(7)15/h3-6,15H,1-2H3
InChIKeyKTPOMMLXEQYBAL-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
(3,4-dimethylquinolin-2-yl) acetate
CID 175492978
(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone
CID 67838673
iridium;phenanthridine-6-carboxylic acid
CID 59015465
1-[4-methyl-2-(4-methylphenyl)sulfanylquinolin-3-yl]ethanone
CID 1475703
acetic acid;phenanthrene-9,10-diol
CID 71435568
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894
N-tert-butylphenanthridine-6-carboxamide
CID 102585131
N-acetyl-N-acridin-9-ylacetamide
CID 138324602
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone (CID 134989412) is 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone is CC(=O)c1nc2ccccc2c(C)c1O.
What is the InChIKey of 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone?
The InChIKey is KTPOMMLXEQYBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-9-5-3-4-6-10(9)13-11(8(2)14)12(7)15/h3-6,15H,1-2H3.
What are the key properties of 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone?
1-(3-hydroxy-4-methylquinolin-2-yl)ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylquinolin-2-yl)ethanone is sourced from PubChem (CID 134989412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).