2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid

C20H19NO3 — CID 3333704

IUPAC2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)c2c(C)ccc(C)c2n1
InChIInChI=1S/C20H19NO3/c1-11-5-8-17(24-4)14(9-11)16-10-15(20(22)23)18-12(2)6-7-13(3)19(18)21-16/h5-10H,1-4H3,(H,22,23)
InChIKeyYICGXLMUOFTOBG-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.53
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid

2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid (PubChem CID 3333704) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
PubChem CID3333704
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)c2c(C)ccc(C)c2n1
InChIInChI=1S/C20H19NO3/c1-11-5-8-17(24-4)14(9-11)16-10-15(20(22)23)18-12(2)6-7-13(3)19(18)21-16/h5-10H,1-4H3,(H,22,23)
InChIKeyYICGXLMUOFTOBG-UHFFFAOYSA-N
XLogP4.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-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-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
CID 82086061
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
5-methoxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 140923725
5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid
CID 3906811
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid (CID 3333704) is 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid is COc1ccc(C)cc1-c1cc(C(=O)O)c2c(C)ccc(C)c2n1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is YICGXLMUOFTOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-11-5-8-17(24-4)14(9-11)16-10-15(20(22)23)18-12(2)6-7-13(3)19(18)21-16/h5-10H,1-4H3,(H,22,23).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid?
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 3333704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).