1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one

C13H12BrNO2 — CID 171788493

IUPAC1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one
SMILESCc1nc2ccc(Br)cc2cc1CC(=O)CO
InChIInChI=1S/C13H12BrNO2/c1-8-9(6-12(17)7-16)4-10-5-11(14)2-3-13(10)15-8/h2-5,16H,6-7H2,1H3
InChIKeyMRKJMMGSIYMEQN-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.41
Rot. Bonds3

About 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one

1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one (PubChem CID 171788493) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one.

Molecular Properties

Compound Name1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one
PubChem CID171788493
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one
SMILESCc1nc2ccc(Br)cc2cc1CC(=O)CO
InChIInChI=1S/C13H12BrNO2/c1-8-9(6-12(17)7-16)4-10-5-11(14)2-3-13(10)15-8/h2-5,16H,6-7H2,1H3
InChIKeyMRKJMMGSIYMEQN-UHFFFAOYSA-N
XLogP2.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-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

ethyl 6-bromo-3-ethylquinoline-2-carboxylate
CID 11551308
6-bromo-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 151993760
ethyl 2-[6-bromo-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 177016242
2,6-dibromo-3-methylquinoline
CID 39423757
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
1-(4-bromo-2-methylphenyl)-3-sulfanylpropan-2-one
CID 58139329
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
2-(6-bromo-3-methylquinolin-2-yl)acetonitrile
CID 84638449
ethyl 6-bromo-3-ethylsulfanylquinoline-2-carboxylate
CID 121398046
1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432865
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one?
The IUPAC name of 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one (CID 171788493) is 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one.
What is the SMILES notation for 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one?
The canonical SMILES for 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one is Cc1nc2ccc(Br)cc2cc1CC(=O)CO.
What is the InChIKey of 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one?
The InChIKey is MRKJMMGSIYMEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-8-9(6-12(17)7-16)4-10-5-11(14)2-3-13(10)15-8/h2-5,16H,6-7H2,1H3.
What are the key properties of 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one?
1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one has a molecular weight of 294.15 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methylquinolin-3-yl)-3-hydroxypropan-2-one is sourced from PubChem (CID 171788493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).