8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid

C17H12ClNO2 — CID 150999301

IUPAC8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H12ClNO2/c1-10-9-12-3-2-8-19-16(12)15(14(10)17(20)21)11-4-6-13(18)7-5-11/h2-9H,1H3,(H,20,21)
InChIKeyLTTQBKWUBUSUMD-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.56
Rot. Bonds2

About 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid

8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid (PubChem CID 150999301) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid
PubChem CID150999301
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H12ClNO2/c1-10-9-12-3-2-8-19-16(12)15(14(10)17(20)21)11-4-6-13(18)7-5-11/h2-9H,1H3,(H,20,21)
InChIKeyLTTQBKWUBUSUMD-UHFFFAOYSA-N
XLogP4.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol
CID 68585959
2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide
CID 123881542
(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 66631441
7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid
CID 118950405
6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 632567
7-fluoroquinoline-8-carboxylic acid
CID 71721093
4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
CID 162534074
2-[7-chloro-1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-2-oxoacetic acid
CID 141324517
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
CID 151544448

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid?
The IUPAC name of 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid (CID 150999301) is 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid.
What is the SMILES notation for 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid?
The canonical SMILES for 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid is Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid?
The InChIKey is LTTQBKWUBUSUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10-9-12-3-2-8-19-16(12)15(14(10)17(20)21)11-4-6-13(18)7-5-11/h2-9H,1H3,(H,20,21).
What are the key properties of 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid?
8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid is sourced from PubChem (CID 150999301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).