N-[2-(quinolin-3-yl)pyridin-3-yl]cyclopropanecarboxamide

• ChemBase ID: 524689
• Molecular Formular: C18H15N3O
• Molecular Mass: 289.3312
• Monoisotopic Mass: 289.12151212
• SMILES: C(=O)(Nc1c(c2cc3c(nc2)cccc3)nccc1)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1cccnc1c1cnc2c(c1)cccc2
• InChI: InChI=1S/C18H15N3O/c22-18(12-7-8-12)21-16-6-3-9-19-17(16)14-10-13-4-1-2-5-15(13)20-11-14/h1-6,9-12H,7-8H2,(H,21,22)
• InChIKey: IEEGZWORTKAPCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(quinolin-3-yl)pyridin-3-yl]cyclopropanecarboxamide
• IUPAC Traditional name: N-[2-(quinolin-3-yl)pyridin-3-yl]cyclopropanecarboxamide
• Synonyms: N-(2-quinolin-3-ylpyridin-3-yl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.254772
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9532785
• LogD (pH = 7.4): 2.9636705
• Log P: 2.9638102
• Molar Refractivity: 84.8488 cm^3
• Polarizability: 34.92141 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.46
• LOG S: -2.56
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 3