4-(4-carboxyanilino)quinoline-3-carboxylic acid

C17H12N2O4 — CID 7719142

IUPAC4-(4-carboxyanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2c(C(=O)O)cnc3ccccc23)cc1
InChIInChI=1S/C17H12N2O4/c20-16(21)10-5-7-11(8-6-10)19-15-12-3-1-2-4-14(12)18-9-13(15)17(22)23/h1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyFEXHYQGEBCCKAG-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.37
Rot. Bonds4

About 4-(4-carboxyanilino)quinoline-3-carboxylic acid

4-(4-carboxyanilino)quinoline-3-carboxylic acid (PubChem CID 7719142) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-(4-carboxyanilino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-carboxyanilino)quinoline-3-carboxylic acid
PubChem CID7719142
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4-(4-carboxyanilino)quinoline-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2c(C(=O)O)cnc3ccccc23)cc1
InChIInChI=1S/C17H12N2O4/c20-16(21)10-5-7-11(8-6-10)19-15-12-3-1-2-4-14(12)18-9-13(15)17(22)23/h1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyFEXHYQGEBCCKAG-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

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Related Compounds

4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
4-(3-iodoanilino)quinoline-3-carboxylic acid
CID 63538814
4-(3-bromoanilino)quinoline-3-carboxylic acid
CID 22466647
4-[4-(dimethylamino)anilino]quinoline-3,6-dicarboxylic acid;hydrochloride
CID 22694130
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
CID 53001664
4-(4-methylanilino)-6-(methylcarbamoyl)quinoline-3-carboxylic acid
CID 58173125
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
6-(dimethylamino)-4-[4-(dimethylamino)anilino]quinoline-3-carboxylic acid
CID 7719227
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyanilino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(4-carboxyanilino)quinoline-3-carboxylic acid (CID 7719142) is 4-(4-carboxyanilino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(4-carboxyanilino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(4-carboxyanilino)quinoline-3-carboxylic acid is O=C(O)c1ccc(Nc2c(C(=O)O)cnc3ccccc23)cc1.
What is the InChIKey of 4-(4-carboxyanilino)quinoline-3-carboxylic acid?
The InChIKey is FEXHYQGEBCCKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-16(21)10-5-7-11(8-6-10)19-15-12-3-1-2-4-14(12)18-9-13(15)17(22)23/h1-9H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 4-(4-carboxyanilino)quinoline-3-carboxylic acid?
4-(4-carboxyanilino)quinoline-3-carboxylic 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-(4-carboxyanilino)quinoline-3-carboxylic acid is sourced from PubChem (CID 7719142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).