2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid

C18H14ClNO2 — CID 18073531

IUPAC2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2cc1C
InChIInChI=1S/C18H14ClNO2/c1-10-7-14-15(18(21)22)9-16(20-17(14)8-11(10)2)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22)
InChIKeyIIIRZNPZRDQVSW-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.87
Rot. Bonds2

About 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid

2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid (PubChem CID 18073531) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
PubChem CID18073531
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
SMILESCc1cc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2cc1C
InChIInChI=1S/C18H14ClNO2/c1-10-7-14-15(18(21)22)9-16(20-17(14)8-11(10)2)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22)
InChIKeyIIIRZNPZRDQVSW-UHFFFAOYSA-N
XLogP4.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 91527839
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
(2-methylphenyl) 2-(4-chlorophenyl)-6-methylquinoline-4-carboxylate
CID 3648252
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid (CID 18073531) is 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid is Cc1cc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2cc1C.
What is the InChIKey of 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid?
The InChIKey is IIIRZNPZRDQVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-10-7-14-15(18(21)22)9-16(20-17(14)8-11(10)2)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid?
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 18073531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).