1-methyl-8-(quinolin-6-yl)-1,8-diazaspiro[4.5]decane

• ChemBase ID: 514139
• Molecular Formular: C18H23N3
• Molecular Mass: 281.39532
• Monoisotopic Mass: 281.18919775
• SMILES: N1(c2cc3c(nccc3)cc2)CCC2(N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC21CCN(CC2)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C18H23N3/c1-20-11-3-7-18(20)8-12-21(13-9-18)16-5-6-17-15(14-16)4-2-10-19-17/h2,4-6,10,14H,3,7-9,11-13H2,1H3
• InChIKey: GQJDBEYPDURDCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-8-(quinolin-6-yl)-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-methyl-8-(quinolin-6-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 6-(1-methyl-1,8-diazaspiro[4.5]dec-8-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.97483015
• LogD (pH = 7.4): 0.022141278
• Log P: 2.5953166
• Molar Refractivity: 87.2896 cm^3
• Polarizability: 34.80367 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.68
• LOG S: -2.53
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1