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

C18H14ClNO4 — CID 18073642

IUPAC2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C18H14ClNO4/c1-23-16-8-12-13(18(21)22)7-14(10-3-5-11(19)6-4-10)20-15(12)9-17(16)24-2/h3-9H,1-2H3,(H,21,22)
InChIKeyWQCJONDSOCRNHL-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.27
Rot. Bonds4

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

2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid (PubChem CID 18073642) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
PubChem CID18073642
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C18H14ClNO4/c1-23-16-8-12-13(18(21)22)7-14(10-3-5-11(19)6-4-10)20-15(12)9-17(16)24-2/h3-9H,1-2H3,(H,21,22)
InChIKeyWQCJONDSOCRNHL-UHFFFAOYSA-N
XLogP4.27
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 18073660
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid
CID 18073587
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
7-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442508
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid (CID 18073642) is 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid is COc1cc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
The InChIKey is WQCJONDSOCRNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-23-16-8-12-13(18(21)22)7-14(10-3-5-11(19)6-4-10)20-15(12)9-17(16)24-2/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid?
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid has a molecular weight of 343.77 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 18073642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).