5-[3-(pyridin-4-yl)azetidine-1-carbonyl]quinoxaline

• ChemBase ID: 820510
• Molecular Formular: C17H14N4O
• Molecular Mass: 290.31926
• Monoisotopic Mass: 290.11676109
• SMILES: N1(C(=O)c2c3nccnc3ccc2)CC(C1)c1ccncc1
• Canonical SMILES: O=C(c1cccc2c1nccn2)N1CC(C1)c1ccncc1
• InChI: InChI=1S/C17H14N4O/c22-17(14-2-1-3-15-16(14)20-9-8-19-15)21-10-13(11-21)12-4-6-18-7-5-12/h1-9,13H,10-11H2
• InChIKey: GJTNSTFEXNRXOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(pyridin-4-yl)azetidine-1-carbonyl]quinoxaline
• IUPAC Traditional name: 5-[3-(pyridin-4-yl)azetidine-1-carbonyl]quinoxaline
• Synonyms: 5-{[3-(4-pyridinyl)-1-azetidinyl]carbonyl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7666276
• LogD (pH = 7.4): 0.87925893
• Log P: 0.8809607
• Molar Refractivity: 81.5731 cm^3
• Polarizability: 32.387527 Å^3
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.21
• LOG S: -0.29
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 2