7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid

C17H12ClNO2 — CID 63462482

IUPAC7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c2ccc(Cl)cc2n1
InChIInChI=1S/C17H12ClNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-7-6-11(18)8-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyWUBDWJQYECPHHP-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.56
Rot. Bonds2

About 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid

7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 63462482) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
PubChem CID63462482
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccccc1-c1cc(C(=O)O)c2ccc(Cl)cc2n1
InChIInChI=1S/C17H12ClNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-7-6-11(18)8-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyWUBDWJQYECPHHP-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

6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid
CID 12784962
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
[4-[2-(2-methylphenyl)quinoline-4-carbonyl]-1,4-diazepan-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 3532742
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3517701
7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984699
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid (CID 63462482) is 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid is Cc1ccccc1-c1cc(C(=O)O)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is WUBDWJQYECPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-10-4-2-3-5-12(10)16-9-14(17(20)21)13-7-6-11(18)8-15(13)19-16/h2-9H,1H3,(H,20,21).
What are the key properties of 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid?
7-chloro-2-(2-methylphenyl)quinoline-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 7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 63462482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).