3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

C20H20N2O2 — CID 16643744

IUPAC3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N(C)C)cc1
InChIInChI=1S/C20H20N2O2/c1-12-5-8-14(9-6-12)18-19(22(3)4)17(20(23)24)15-11-13(2)7-10-16(15)21-18/h5-11H,1-4H3,(H,23,24)
InChIKeyMJKUMBPOHBBJAN-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.28
Rot. Bonds3

About 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 16643744) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID16643744
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N(C)C)cc1
InChIInChI=1S/C20H20N2O2/c1-12-5-8-14(9-6-12)18-19(22(3)4)17(20(23)24)15-11-13(2)7-10-16(15)21-18/h5-11H,1-4H3,(H,23,24)
InChIKeyMJKUMBPOHBBJAN-UHFFFAOYSA-N
XLogP4.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-6-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 16643744) is 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is MJKUMBPOHBBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-5-8-14(9-6-12)18-19(22(3)4)17(20(23)24)15-11-13(2)7-10-16(15)21-18/h5-11H,1-4H3,(H,23,24).
What are the key properties of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 16643744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).