N-{2-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]ethyl}acetamide

• ChemBase编号: 333763
• 分子式: C19H26N4O2
• 平均质量: 342.43534
• 单一同位素质量: 342.20557609
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N1CCC(CC1)CCNC(=O)C
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N1CCC(CC1)CCNC(=O)C
• InChI: InChI=1S/C19H26N4O2/c1-13-17-5-4-16(25-3)12-18(17)22-19(21-13)23-10-7-15(8-11-23)6-9-20-14(2)24/h4-5,12,15H,6-11H2,1-3H3,(H,20,24)
• InChIKey: SLZMJMFGMIEYSQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]ethyl}acetamide
• IUPAC传统名: N-{2-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]ethyl}acetamide
• 别名: N-{2-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]ethyl}acetamide

理论计算性质

JChem

• Acid pKa: 15.53596
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.8594552
• LogD (pH = 7.4): 2.0399508
• Log P: 2.0428314
• 摩尔折射率: 98.5514 cm^3
• 极化性: 38.515896 Å^3
• 极化表面积: 67.35 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.67
• LOG S: -3.12
• 极化表面积: 67.35 Å^2
• 可自由旋转的化学键: 5