(7R,8R)-8-(3-chloro-3-methylbutyl)-4,8-dimethoxy-5H,6H,7H,8H-furo[2,3-b]quinolin-7-yl acetate

• ChemBase编号: 203450
• 分子式: C20H26ClNO5
• 平均质量: 395.87714
• 单一同位素质量: 395.14995062
• SMILES: c12[C@@]([C@H](OC(=O)C)CCc2c(c2c(n1)occ2)OC)(CCC(Cl)(C)C)OC
• Canonical SMILES: CO[C@@]1(CCC(Cl)(C)C)[C@@H](CCc2c1nc1occc1c2OC)OC(=O)C
• InChI: InChI=1S/C20H26ClNO5/c1-12(23)27-15-7-6-13-16(24-4)14-8-11-26-18(14)22-17(13)20(15,25-5)10-9-19(2,3)21/h8,11,15H,6-7,9-10H2,1-5H3/t15-,20+/m1/s1
• InChIKey: VSGKMMCTPAAFHX-QRWLVFNGSA-N

名称和登记号

名称

• IUPAC标准名: (7R,8R)-8-(3-chloro-3-methylbutyl)-4,8-dimethoxy-5H,6H,7H,8H-furo[2,3-b]quinolin-7-yl acetate
• IUPAC传统名: (7R,8R)-8-(3-chloro-3-methylbutyl)-4,8-dimethoxy-5H,6H,7H-furo[2,3-b]quinolin-7-yl acetate

登记号

• PubChem SID: 164259360
• PubChem CID: 1766386

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.6038616
• LogD (pH = 7.4): 3.603862
• Log P: 3.603862
• 摩尔折射率: 100.8478 cm^3
• 极化性: 40.35806 Å^3
• 极化表面积: 70.79 Å^2
• 可自由旋转的化学键: 7
• 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