N-(pyridin-3-yl)-5-(quinolin-8-yl)furan-2-carboxamide

• ChemBase ID: 779168
• Molecular Formular: C19H13N3O2
• Molecular Mass: 315.32542
• Monoisotopic Mass: 315.10077667
• SMILES: c1(oc(C(=O)Nc2cnccc2)cc1)c1c2ncccc2ccc1
• Canonical SMILES: O=C(c1ccc(o1)c1cccc2c1nccc2)Nc1cccnc1
• InChI: InChI=1S/C19H13N3O2/c23-19(22-14-6-3-10-20-12-14)17-9-8-16(24-17)15-7-1-4-13-5-2-11-21-18(13)15/h1-12H,(H,22,23)
• InChIKey: XGHPYUUQDDJENE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-3-yl)-5-(quinolin-8-yl)furan-2-carboxamide
• IUPAC Traditional name: N-(pyridin-3-yl)-5-(quinolin-8-yl)furan-2-carboxamide
• Synonyms: N-pyridin-3-yl-5-quinolin-8-yl-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.193458
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6010106
• LogD (pH = 7.4): 2.6320877
• Log P: 2.632586
• Molar Refractivity: 90.7605 cm^3
• Polarizability: 36.53143 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.14
• LOG S: -4.18
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 3