6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid

C17H12ClNO3 — CID 4277393

IUPAC6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H12ClNO3/c1-22-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyFXTAXDJWNKIIHF-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.26
Rot. Bonds3

About 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid

6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 4277393) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID4277393
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H12ClNO3/c1-22-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyFXTAXDJWNKIIHF-UHFFFAOYSA-N
XLogP4.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
2-(4-tert-butylphenyl)-6-chloroquinoline-4-carbonyl chloride
CID 46779410

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid (CID 4277393) is 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is FXTAXDJWNKIIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-22-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19-16/h2-9H,1H3,(H,20,21).
What are the key properties of 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid?
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4277393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).