4-methoxy-1-methyl-8-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]-1,2-dihydroquinolin-2-one

• ChemBase编号: 216166
• 分子式: C19H25NO5
• 平均质量: 347.4055
• 单一同位素质量: 347.17327291
• SMILES: c1(=O)n(c2c(c(c1)OC)cccc2OCC1OC(OC1(C)C)(C)C)C
• Canonical SMILES: COc1cc(=O)n(c2c1cccc2OCC1OC(OC1(C)C)(C)C)C
• InChI: InChI=1S/C19H25NO5/c1-18(2)15(24-19(3,4)25-18)11-23-13-9-7-8-12-14(22-6)10-16(21)20(5)17(12)13/h7-10,15H,11H2,1-6H3
• InChIKey: HFXBOPGUQAUMHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methoxy-1-methyl-8-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]-1,2-dihydroquinolin-2-one
• IUPAC传统名: 4-methoxy-1-methyl-8-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]quinolin-2-one

登记号

• PubChem SID: 164272076
• PubChem CID: 2837664

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.741957
• LogD (pH = 7.4): 1.741957
• Log P: 1.741957
• 摩尔折射率: 95.0206 cm^3
• 极化性: 36.60384 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Genuine Natural Compounds