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

C25H20N2O4 — CID 4570374

IUPAC4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid
SMILESCCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C25H20N2O4/c1-2-31-23-10-6-4-8-19(23)22-15-20(18-7-3-5-9-21(18)27-22)24(28)26-17-13-11-16(12-14-17)25(29)30/h3-15H,2H2,1H3,(H,26,28)(H,29,30)
InChIKeyZJICYTDPVBFMTL-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.25
Rot. Bonds6

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

4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid (PubChem CID 4570374) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid
PubChem CID4570374
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid
SMILESCCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C25H20N2O4/c1-2-31-23-10-6-4-8-19(23)22-15-20(18-7-3-5-9-21(18)27-22)24(28)26-17-13-11-16(12-14-17)25(29)30/h3-15H,2H2,1H3,(H,26,28)(H,29,30)
InChIKeyZJICYTDPVBFMTL-UHFFFAOYSA-N
XLogP5.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic 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-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid (CID 4570374) is 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid is CCOc1ccccc1-c1cc(C(=O)Nc2ccc(C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid?
The InChIKey is ZJICYTDPVBFMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-2-31-23-10-6-4-8-19(23)22-15-20(18-7-3-5-9-21(18)27-22)24(28)26-17-13-11-16(12-14-17)25(29)30/h3-15H,2H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid?
4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid has a molecular weight of 412.45 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethoxyphenyl)quinoline-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 4570374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).