N-(1H-indol-3-yl)quinoline-3-carboxamide

• ChemBase ID: 772482
• Molecular Formular: C18H13N3O
• Molecular Mass: 287.31532
• Monoisotopic Mass: 287.10586205
• SMILES: c1(NC(=O)c2cc3c(nc2)cccc3)c2c([nH]c1)cccc2
• Canonical SMILES: O=C(c1cnc2c(c1)cccc2)Nc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H13N3O/c22-18(13-9-12-5-1-3-7-15(12)19-10-13)21-17-11-20-16-8-4-2-6-14(16)17/h1-11,20H,(H,21,22)
• InChIKey: JPHLMUSADZVPGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-3-yl)quinoline-3-carboxamide
• IUPAC Traditional name: N-(1H-indol-3-yl)quinoline-3-carboxamide
• Synonyms: N-1H-indol-3-yl-3-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.099593
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3204184
• LogD (pH = 7.4): 3.321533
• Log P: 3.3215473
• Molar Refractivity: 86.5993 cm^3
• Polarizability: 34.868313 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.27
• LOG S: -5.2
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2