4-(2-methylanilino)quinoline-3,6-dicarboxylic acid

C18H14N2O4 — CID 7719086

IUPAC4-(2-methylanilino)quinoline-3,6-dicarboxylic acid
SMILESCc1ccccc1Nc1c(C(=O)O)cnc2ccc(C(=O)O)cc12
InChIInChI=1S/C18H14N2O4/c1-10-4-2-3-5-14(10)20-16-12-8-11(17(21)22)6-7-15(12)19-9-13(16)18(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyJOJXXNGTCZVZEH-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.68
Rot. Bonds4

About 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid

4-(2-methylanilino)quinoline-3,6-dicarboxylic acid (PubChem CID 7719086) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-methylanilino)quinoline-3,6-dicarboxylic acid
PubChem CID7719086
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-(2-methylanilino)quinoline-3,6-dicarboxylic acid
SMILESCc1ccccc1Nc1c(C(=O)O)cnc2ccc(C(=O)O)cc12
InChIInChI=1S/C18H14N2O4/c1-10-4-2-3-5-14(10)20-16-12-8-11(17(21)22)6-7-15(12)19-9-13(16)18(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyJOJXXNGTCZVZEH-UHFFFAOYSA-N
XLogP3.68
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylanilino)quinoline-3,6-dicarboxylic 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 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
The IUPAC name of 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid (CID 7719086) is 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid.
What is the SMILES notation for 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
The canonical SMILES for 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid is Cc1ccccc1Nc1c(C(=O)O)cnc2ccc(C(=O)O)cc12.
What is the InChIKey of 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
The InChIKey is JOJXXNGTCZVZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10-4-2-3-5-14(10)20-16-12-8-11(17(21)22)6-7-15(12)19-9-13(16)18(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid?
4-(2-methylanilino)quinoline-3,6-dicarboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)quinoline-3,6-dicarboxylic acid is sourced from PubChem (CID 7719086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).