7-methyl-2-(4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 353147
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: c1(c(=O)n(c2c(n1)cccc2)C)C(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1nc2ccccc2n(c1=O)C
• InChI: InChI=1S/C19H22N4O3/c1-21-10-5-8-19(18(21)26)9-11-23(12-19)17(25)15-16(24)22(2)14-7-4-3-6-13(14)20-15/h3-4,6-7H,5,8-12H2,1-2H3
• InChIKey: WCNMMIAJJFQABQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-(4-methyl-3-oxoquinoxaline-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 1-methyl-3-[(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)carbonyl]quinoxalin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.64493376
• LogD (pH = 7.4): 0.64493406
• Log P: 0.64493406
• Molar Refractivity: 98.0939 cm^3
• Polarizability: 36.438324 Å^3
• Polar Surface Area: 73.29 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.29
• LOG S: -2.85
• Polar Surface Area: 75.51 Å^2
• Rotatable Bonds: 1