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

C18H13NO4 — CID 15376151

IUPAC2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccc3C(=O)O)cc(C(=O)O)c2c1
InChIInChI=1S/C18H13NO4/c1-10-6-7-15-13(8-10)14(18(22)23)9-16(19-15)11-4-2-3-5-12(11)17(20)21/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyFEKMETWXZHRJRY-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.61
Rot. Bonds3

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

2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid (PubChem CID 15376151) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
PubChem CID15376151
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccc3C(=O)O)cc(C(=O)O)c2c1
InChIInChI=1S/C18H13NO4/c1-10-6-7-15-13(8-10)14(18(22)23)9-16(19-15)11-4-2-3-5-12(11)17(20)21/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyFEKMETWXZHRJRY-UHFFFAOYSA-N
XLogP3.61
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
6-tert-butyl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 3921537
CID 137154328
CID 137154328
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
2-(2-ethoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CID 46779305
6-tert-butyl-2-(2,5-dimethylphenyl)quinoline-4-carboxylic acid
CID 3879145
[2-(2-chlorophenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42749654
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid (CID 15376151) is 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccccc3C(=O)O)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is FEKMETWXZHRJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-10-6-7-15-13(8-10)14(18(22)23)9-16(19-15)11-4-2-3-5-12(11)17(20)21/h2-9H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid?
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 15376151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).