3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid

C23H15ClN2O3 — CID 1261932

IUPAC3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)c1
InChIInChI=1S/C23H15ClN2O3/c24-16-7-3-5-14(11-16)21-13-19(18-9-1-2-10-20(18)26-21)22(27)25-17-8-4-6-15(12-17)23(28)29/h1-13H,(H,25,27)(H,28,29)
InChIKeyQVGAABABNHIXCZ-UHFFFAOYSA-N
MW402.84 g/mol
LogP5.51
Rot. Bonds4

About 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid

3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid (PubChem CID 1261932) has the molecular formula C23H15ClN2O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid
PubChem CID1261932
Molecular FormulaC23H15ClN2O3
Molecular Weight402.84 g/mol
Exact Mass402.08
IUPAC Name3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)c1
InChIInChI=1S/C23H15ClN2O3/c24-16-7-3-5-14(11-16)21-13-19(18-9-1-2-10-20(18)26-21)22(27)25-17-8-4-6-15(12-17)23(28)29/h1-13H,(H,25,27)(H,28,29)
InChIKeyQVGAABABNHIXCZ-UHFFFAOYSA-N
XLogP5.51
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.84
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid (CID 1261932) is 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc23)c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid?
The InChIKey is QVGAABABNHIXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O3/c24-16-7-3-5-14(11-16)21-13-19(18-9-1-2-10-20(18)26-21)22(27)25-17-8-4-6-15(12-17)23(28)29/h1-13H,(H,25,27)(H,28,29).
What are the key properties of 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid?
3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid has a molecular weight of 402.84 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 1261932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).