8-(quinoxalin-2-yl)-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 675816
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: n1c(N2CCC3(OCCC3)CC2)cnc2c1cccc2
• Canonical SMILES: C1COC2(C1)CCN(CC2)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C16H19N3O/c1-2-5-14-13(4-1)17-12-15(18-14)19-9-7-16(8-10-19)6-3-11-20-16/h1-2,4-5,12H,3,6-11H2
• InChIKey: WFFUATCUTBHASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(quinoxalin-2-yl)-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-(quinoxalin-2-yl)-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 2-(1-oxa-8-azaspiro[4.5]dec-8-yl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2914433
• LogD (pH = 7.4): 2.2923207
• Log P: 2.292332
• Molar Refractivity: 78.0986 cm^3
• Polarizability: 31.169357 Å^3
• Polar Surface Area: 38.25 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: 1.31
• LOG S: -2.28
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1