8-(2,3-dimethylquinoxaline-6-carbonyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 321524
• Molecular Formular: C26H27FN4O3
• Molecular Mass: 462.5159832
• Monoisotopic Mass: 462.20671896
• SMILES: N1(C2(CCN(C(=O)c3cc4nc(c(nc4cc3)C)C)CC2)CCC1=O)OCc1c(F)cccc1
• Canonical SMILES: O=C1CCC2(N1OCc1ccccc1F)CCN(CC2)C(=O)c1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C26H27FN4O3/c1-17-18(2)29-23-15-19(7-8-22(23)28-17)25(33)30-13-11-26(12-14-30)10-9-24(32)31(26)34-16-20-5-3-4-6-21(20)27/h3-8,15H,9-14,16H2,1-2H3
• InChIKey: XPRDDZJDMSYHGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,3-dimethylquinoxaline-6-carbonyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2,3-dimethylquinoxaline-6-carbonyl)-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2,3-dimethyl-6-quinoxalinyl)carbonyl]-1-[(2-fluorobenzyl)oxy]-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2824855
• LogD (pH = 7.4): 2.2825603
• Log P: 2.2825613
• Molar Refractivity: 124.1916 cm^3
• Polarizability: 48.68524 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.79
• LOG S: -4.1
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4