ethyl 3-(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 226486
• 分子式: C24H19NO7
• 平均质量: 433.41016
• 单一同位素质量: 433.11615195
• SMILES: c12c(OC(C1c1c(=O)[nH]c3c(c1)cc(cc3)OC)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc3cc(OC)ccc3[nH]c1=O)c(=O)oc1c2cccc1
• InChI: InChI=1S/C24H19NO7/c1-3-30-24(28)21-18(15-11-12-10-13(29-2)8-9-16(12)25-22(15)26)19-20(32-21)14-6-4-5-7-17(14)31-23(19)27/h4-11,18,21H,3H2,1-2H3,(H,25,26)
• InChIKey: FKXVMWZZFSUQIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-(6-methoxy-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-(6-methoxy-2-oxo-1H-quinolin-3-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164282396
• PubChem CID: 71753651

理论计算性质

• Acid pKa: -15.760772
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.17301083
• LogD (pH = 7.4): -0.17277518
• Log P: -2.3594604
• 摩尔折射率: 115.7321 cm^3
• 极化性: 43.61245 Å^3
• 极化表面积: 100.16 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: Derivatives & analogs of Natural Compounds