4,8-dimethoxy-7-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]furo[2,3-b]quinoline

• ChemBase编号: 180595
• 分子式: C21H25NO6
• 平均质量: 387.4263
• 单一同位素质量: 387.16818753
• SMILES: c12nc3c(c(c1ccc(c2OC)OCC1OC(OC1(C)C)(C)C)OC)cco3
• Canonical SMILES: COc1c(OCC2OC(OC2(C)C)(C)C)ccc2c1nc1occc1c2OC
• InChI: InChI=1S/C21H25NO6/c1-20(2)15(27-21(3,4)28-20)11-26-14-8-7-12-16(18(14)24-6)22-19-13(9-10-25-19)17(12)23-5/h7-10,15H,11H2,1-6H3
• InChIKey: OVRHYRNVXCEKKO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,8-dimethoxy-7-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]furo[2,3-b]quinoline
• IUPAC传统名: 4,8-dimethoxy-7-[(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)methoxy]furo[2,3-b]quinoline

登记号

• PubChem SID: 164236505
• PubChem CID: 2837666

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.263536
• LogD (pH = 7.4): 3.2636106
• Log P: 3.2636116
• 摩尔折射率: 101.6814 cm^3
• 极化性: 41.76557 Å^3
• 极化表面积: 72.18 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds