6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid

C19H17NO4 — CID 18073657

IUPAC6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccc(C)cc3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C19H17NO4/c1-11-4-6-12(7-5-11)15-8-14(19(21)22)13-9-17(23-2)18(24-3)10-16(13)20-15/h4-10H,1-3H3,(H,21,22)
InChIKeyZCFKVRFBXNSNGM-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.93
Rot. Bonds4

About 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid

6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 18073657) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID18073657
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccc(C)cc3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C19H17NO4/c1-11-4-6-12(7-5-11)15-8-14(19(21)22)13-9-17(23-2)18(24-3)10-16(13)20-15/h4-10H,1-3H3,(H,21,22)
InChIKeyZCFKVRFBXNSNGM-UHFFFAOYSA-N
XLogP3.93
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-2-(4-methylphenyl)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

Related Compounds

2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 18073660
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 84642221
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 18073657) is 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid is COc1cc2nc(-c3ccc(C)cc3)cc(C(=O)O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is ZCFKVRFBXNSNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-4-6-12(7-5-11)15-8-14(19(21)22)13-9-17(23-2)18(24-3)10-16(13)20-15/h4-10H,1-3H3,(H,21,22).
What are the key properties of 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid?
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18073657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).