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

C22H14ClNO3 — CID 71817131

IUPAC6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H14ClNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26)
InChIKeyNPMGPHKLPREXTE-UHFFFAOYSA-N
MW375.81 g/mol
LogP6.05
Rot. Bonds4

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

6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 71817131) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
PubChem CID71817131
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H14ClNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26)
InChIKeyNPMGPHKLPREXTE-UHFFFAOYSA-N
XLogP6.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid (CID 71817131) is 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is NPMGPHKLPREXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-15-8-11-20-18(12-15)19(22(25)26)13-21(24-20)14-6-9-17(10-7-14)27-16-4-2-1-3-5-16/h1-13H,(H,25,26).
What are the key properties of 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid?
6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 375.81 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 71817131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).