N,4-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)propyl]quinazolin-2-amine

• ChemBase编号: 752104
• 分子式: C18H26N4
• 平均质量: 298.42584
• 单一同位素质量: 298.21574685
• SMILES: c1(nc(c2c(n1)cccc2)C)N(CC(CN1CCCC1)C)C
• Canonical SMILES: CC(CN(c1nc(C)c2c(n1)cccc2)C)CN1CCCC1
• InChI: InChI=1S/C18H26N4/c1-14(13-22-10-6-7-11-22)12-21(3)18-19-15(2)16-8-4-5-9-17(16)20-18/h4-5,8-9,14H,6-7,10-13H2,1-3H3
• InChIKey: WFEPLLIWKXTTTJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,4-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)propyl]quinazolin-2-amine
• IUPAC传统名: N,4-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)propyl]quinazolin-2-amine
• 别名: N,4-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinazolin-2-amine

理论计算性质

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.48
• LOG S: -3.34
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 5

JChem

• 质子供体: 0
• LogD (pH = 5.5): -0.110496156
• LogD (pH = 7.4): 1.1947478
• Log P: 3.3069878
• 摩尔折射率: 92.6085 cm^3
• 极化性: 36.377464 Å^3
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 4