5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid

C17H10Cl3NO2 — CID 3952156

IUPAC5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C17H10Cl3NO2/c1-8-2-4-12(19)15-10(17(22)23)7-14(21-16(8)15)9-3-5-11(18)13(20)6-9/h2-7H,1H3,(H,22,23)
InChIKeyUCESODPMUWGEBW-UHFFFAOYSA-N
MW366.63 g/mol
LogP5.87
Rot. Bonds2

About 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid

5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid (PubChem CID 3952156) has the molecular formula C17H10Cl3NO2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
PubChem CID3952156
Molecular FormulaC17H10Cl3NO2
Molecular Weight366.63 g/mol
Exact Mass364.98
IUPAC Name5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc12
InChIInChI=1S/C17H10Cl3NO2/c1-8-2-4-12(19)15-10(17(22)23)7-14(21-16(8)15)9-3-5-11(18)13(20)6-9/h2-7H,1H3,(H,22,23)
InChIKeyUCESODPMUWGEBW-UHFFFAOYSA-N
XLogP5.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-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

Related Compounds

2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid
CID 3906811
2-(5-bromo-1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 4034964
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078
7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 91527839
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 106988523
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 106988454
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
CID 82045546

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid (CID 3952156) is 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid is Cc1ccc(Cl)c2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc12.
What is the InChIKey of 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is UCESODPMUWGEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3NO2/c1-8-2-4-12(19)15-10(17(22)23)7-14(21-16(8)15)9-3-5-11(18)13(20)6-9/h2-7H,1H3,(H,22,23).
What are the key properties of 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid?
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid has a molecular weight of 366.63 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 3952156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).