2-amino-6-(furan-2-yl)-4-(quinolin-4-yl)pyridine-3-carbonitrile

• ChemBase ID: 432090
• Molecular Formular: C19H12N4O
• Molecular Mass: 312.32478
• Monoisotopic Mass: 312.10111102
• SMILES: c1(c(c(nc(c1)c1occc1)N)C#N)c1c2c(ncc1)cccc2
• Canonical SMILES: N#Cc1c(N)nc(cc1c1ccnc2c1cccc2)c1ccco1
• InChI: InChI=1S/C19H12N4O/c20-11-15-14(10-17(23-19(15)21)18-6-3-9-24-18)12-7-8-22-16-5-2-1-4-13(12)16/h1-10H,(H2,21,23)
• InChIKey: ABQVOCXOKIPEGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-(furan-2-yl)-4-(quinolin-4-yl)pyridine-3-carbonitrile
• IUPAC Traditional name: 2-amino-6-(furan-2-yl)-4-(quinolin-4-yl)pyridine-3-carbonitrile
• Synonyms: 2-amino-6-(2-furyl)-4-quinolin-4-ylnicotinonitrile

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.937088
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2630558
• LogD (pH = 7.4): 3.2752457
• Log P: 3.2754035
• Molar Refractivity: 90.8492 cm^3
• Polarizability: 37.92912 Å^3
• Polar Surface Area: 88.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.91
• LOG S: -5.08
• Polar Surface Area: 88.73 Å^2
• Rotatable Bonds: 2