4-anilinoquinoline-3,6-dicarboxylic acid

C17H12N2O4 — CID 7719081

IUPAC4-anilinoquinoline-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2ncc(C(=O)O)c(Nc3ccccc3)c2c1
InChIInChI=1S/C17H12N2O4/c20-16(21)10-6-7-14-12(8-10)15(13(9-18-14)17(22)23)19-11-4-2-1-3-5-11/h1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyKKFXVJKKIUBOKR-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.37
Rot. Bonds4

About 4-anilinoquinoline-3,6-dicarboxylic acid

4-anilinoquinoline-3,6-dicarboxylic acid (PubChem CID 7719081) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-anilinoquinoline-3,6-dicarboxylic acid.

Molecular Properties

Compound Name4-anilinoquinoline-3,6-dicarboxylic acid
PubChem CID7719081
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4-anilinoquinoline-3,6-dicarboxylic acid
SMILESO=C(O)c1ccc2ncc(C(=O)O)c(Nc3ccccc3)c2c1
InChIInChI=1S/C17H12N2O4/c20-16(21)10-6-7-14-12(8-10)15(13(9-18-14)17(22)23)19-11-4-2-1-3-5-11/h1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyKKFXVJKKIUBOKR-UHFFFAOYSA-N
XLogP3.37
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-anilinoquinoline-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-anilinoquinoline-3,6-dicarboxylic acid?
The IUPAC name of 4-anilinoquinoline-3,6-dicarboxylic acid (CID 7719081) is 4-anilinoquinoline-3,6-dicarboxylic acid.
What is the SMILES notation for 4-anilinoquinoline-3,6-dicarboxylic acid?
The canonical SMILES for 4-anilinoquinoline-3,6-dicarboxylic acid is O=C(O)c1ccc2ncc(C(=O)O)c(Nc3ccccc3)c2c1.
What is the InChIKey of 4-anilinoquinoline-3,6-dicarboxylic acid?
The InChIKey is KKFXVJKKIUBOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-16(21)10-6-7-14-12(8-10)15(13(9-18-14)17(22)23)19-11-4-2-1-3-5-11/h1-9H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 4-anilinoquinoline-3,6-dicarboxylic acid?
4-anilinoquinoline-3,6-dicarboxylic acid has a molecular weight of 308.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinoquinoline-3,6-dicarboxylic acid is sourced from PubChem (CID 7719081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).