7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 779769
• 分子式: C19H23N3O
• 平均质量: 309.40542
• 单一同位素质量: 309.18411237
• SMILES: C12(C(=O)N(CCC2)C)CN(c2c3c(nc(c2)C)cccc3)CC1
• Canonical SMILES: Cc1cc(N2CCC3(C2)CCCN(C3=O)C)c2c(n1)cccc2
• InChI: InChI=1S/C19H23N3O/c1-14-12-17(15-6-3-4-7-16(15)20-14)22-11-9-19(13-22)8-5-10-21(2)18(19)23/h3-4,6-7,12H,5,8-11,13H2,1-2H3
• InChIKey: GHELWMQPEKOAME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.53228056
• LogD (pH = 7.4): 1.1311125
• Log P: 2.3222234
• 摩尔折射率: 91.6123 cm^3
• 极化性: 36.18409 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.6
• LOG S: -3.68
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 1