7-methyl-2-(quinoxalin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 647277
• Molecular Formular: C17H20N4O
• Molecular Mass: 296.3669
• Monoisotopic Mass: 296.16371128
• SMILES: C12(C(=O)N(CCC2)C)CN(c2nc3c(nc2)cccc3)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C17H20N4O/c1-20-9-4-7-17(16(20)22)8-10-21(12-17)15-11-18-13-5-2-3-6-14(13)19-15/h2-3,5-6,11H,4,7-10,12H2,1H3
• InChIKey: KKVCHIUSGSERBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(quinoxalin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-(quinoxalin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9526156
• LogD (pH = 7.4): 1.9534777
• Log P: 1.9534888
• Molar Refractivity: 84.8054 cm^3
• Polarizability: 33.516953 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.7
• LOG S: -1.96
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1