ethyl 3-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 226960
• 分子式: C24H19NO6
• 平均质量: 417.41076
• 单一同位素质量: 417.12123733
• SMILES: c12c(OC(C1c1c(=O)n(c3c(c1)cccc3)C)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc3ccccc3n(c1=O)C)c(=O)oc1c2cccc1
• InChI: InChI=1S/C24H19NO6/c1-3-29-24(28)21-18(15-12-13-8-4-6-10-16(13)25(2)22(15)26)19-20(31-21)14-9-5-7-11-17(14)30-23(19)27/h4-12,18,21H,3H2,1-2H3
• InChIKey: RYMCCCGKAGFXQP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: ethyl 3-(1-methyl-2-oxoquinolin-3-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164282870
• PubChem CID: 71754104

理论计算性质

• Acid pKa: -15.766188
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.15188226
• LogD (pH = 7.4): -0.15104528
• Log P: -2.7655754
• 摩尔折射率: 112.3848 cm^3
• 极化性: 42.90943 Å^3
• 极化表面积: 82.14 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: Derivatives & analogs of Natural Compounds