1-methyl-8-(quinoxalin-2-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 403136
• Molecular Formular: C17H22N4
• Molecular Mass: 282.38338
• Monoisotopic Mass: 282.18444672
• SMILES: n1c(N2CCC3(N(CCC3)C)CC2)cnc2c1cccc2
• Canonical SMILES: CN1CCCC21CCN(CC2)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C17H22N4/c1-20-10-4-7-17(20)8-11-21(12-9-17)16-13-18-14-5-2-3-6-15(14)19-16/h2-3,5-6,13H,4,7-12H2,1H3
• InChIKey: GXWFBAPUJHYYQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0737405
• LogD (pH = 7.4): 0.028964164
• Log P: 2.357952
• Molar Refractivity: 85.0742 cm^3
• Polarizability: 33.875847 Å^3
• Polar Surface Area: 32.26 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: 1.74
• LOG S: -1.74
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1