ethyl 3-(7-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 227133
• 分子式: C25H21NO7
• 平均质量: 447.43674
• 单一同位素质量: 447.13180202
• SMILES: c12c(OC(C1c1c(=O)n(c3c(c1)ccc(c3)OC)C)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc3ccc(cc3n(c1=O)C)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C25H21NO7/c1-4-31-25(29)22-19(20-21(33-22)15-7-5-6-8-18(15)32-24(20)28)16-11-13-9-10-14(30-3)12-17(13)26(2)23(16)27/h5-12,19,22H,4H2,1-3H3
• InChIKey: DVBBJHQTUOTJIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-(7-methoxy-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-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164283043
• PubChem CID: 71754270

理论计算性质

• Acid pKa: -15.768424
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.30951592
• LogD (pH = 7.4): -0.3087161
• Log P: -2.9101815
• 摩尔折射率: 118.848 cm^3
• 极化性: 45.44563 Å^3
• 极化表面积: 91.37 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