6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid

C17H12ClNO2 — CID 143413176

IUPAC6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(-c3ccccc3Cl)ccc2n1
InChIInChI=1S/C17H12ClNO2/c1-10-8-14(17(20)21)13-9-11(6-7-16(13)19-10)12-4-2-3-5-15(12)18/h2-9H,1H3,(H,20,21)
InChIKeyJFCIQBBOVVKKBX-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.56
Rot. Bonds2

About 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid

6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid (PubChem CID 143413176) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
PubChem CID143413176
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cc(-c3ccccc3Cl)ccc2n1
InChIInChI=1S/C17H12ClNO2/c1-10-8-14(17(20)21)13-9-11(6-7-16(13)19-10)12-4-2-3-5-15(12)18/h2-9H,1H3,(H,20,21)
InChIKeyJFCIQBBOVVKKBX-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

4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
4-carboxy-2-methylquinolin-6-olate
CID 54706535
6-(2-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306172
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
5-(2-chlorophenyl)-2-cyanobenzoic acid
CID 174620913
2-chloro-5-(2-methylquinolin-6-yl)benzoic acid
CID 81229927
6-(disulfanyl)-2-methylquinoline-4-carboxylic acid
CID 123387411
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
2-methyl-6-nitroquinoline-4-carboxylic acid
CID 16637250
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid (CID 143413176) is 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid is Cc1cc(C(=O)O)c2cc(-c3ccccc3Cl)ccc2n1.
What is the InChIKey of 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
The InChIKey is JFCIQBBOVVKKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10-8-14(17(20)21)13-9-11(6-7-16(13)19-10)12-4-2-3-5-15(12)18/h2-9H,1H3,(H,20,21).
What are the key properties of 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid?
6-(2-chlorophenyl)-2-methylquinoline-4-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 6-(2-chlorophenyl)-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 143413176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).