2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid

C17H12ClNO3 — CID 1485807

IUPAC2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
SMILESCn1cc(-c2ccccc2C(=O)O)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H12ClNO3/c1-19-9-14(11-4-2-3-5-12(11)17(21)22)16(20)13-8-10(18)6-7-15(13)19/h2-9H,1H3,(H,21,22)
InChIKeyMSGUHPSAKUJTSL-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.56
Rot. Bonds2

About 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid

2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid (PubChem CID 1485807) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
PubChem CID1485807
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid
SMILESCn1cc(-c2ccccc2C(=O)O)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H12ClNO3/c1-19-9-14(11-4-2-3-5-12(11)17(21)22)16(20)13-8-10(18)6-7-15(13)19/h2-9H,1H3,(H,21,22)
InChIKeyMSGUHPSAKUJTSL-UHFFFAOYSA-N
XLogP3.56
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid 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

2-[4-[(4-chloro-N-pentanoylanilino)methyl]phenyl]benzoic acid
CID 162653410
Methyl 2-(1-methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylate
CID 1482374
2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid
CID 3339973
1-benzyl-6-chloro-4-oxo-quinoline-3-carboxylic Acid
CID 3793602
2-[4-[(3-Butyl-4-oxoquinolin-1-yl)methyl]phenyl]benzoic acid
CID 19608496
2-(4-Chlorophenyl)-1,2-dihydro-1-oxo-4-isoquinolinecarboxylic acid
CID 2766381
2-[1-[(3-Chlorophenyl)methyl]-6-fluoro-4-oxoquinolin-3-yl]acetic acid
CID 45274857
4-[(6-Chloro-7-fluoro-1-hydroxy-2-methyl-4-oxoquinolin-3-yl)methyl]benzoic acid
CID 171484529
1-benzyl-6-chloro-7-fluoro-3,4-dihydro-2H-quinoline-8-carboxylic acid
CID 171787731
5-Chloro-2-(2-phenylethylamino)benzoic acid
CID 24749457
o-Isoquinolin-2-yl benzoic acid
CID 129844958
2-[(2-Benzoyl-4-chlorophenyl)iminomethyl]benzoic acid
CID 135020646

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid?
The IUPAC name of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid (CID 1485807) is 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid.
What is the SMILES notation for 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid?
The canonical SMILES for 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid is Cn1cc(-c2ccccc2C(=O)O)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid?
The InChIKey is MSGUHPSAKUJTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-19-9-14(11-4-2-3-5-12(11)17(21)22)16(20)13-8-10(18)6-7-15(13)19/h2-9H,1H3,(H,21,22).
What are the key properties of 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid?
2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid has a molecular weight of 313.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methyl-4-oxoquinolin-3-yl)benzoic acid is sourced from PubChem (CID 1485807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).