5-methoxy-3-(4-methoxyphenyl)-10-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase编号: 227377
• 分子式: C30H23NO7
• 平均质量: 509.50612
• 单一同位素质量: 509.14745208
• SMILES: c1(c(=O)n(c2c(c1)cccc2)C)C1c2c3c(c(=O)c(co3)c3ccc(cc3)OC)c(cc2OC(=O)C1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1cc2ccccc2n(c1=O)C
• InChI: InChI=1S/C30H23NO7/c1-31-22-7-5-4-6-17(22)12-20(30(31)34)19-13-25(32)38-24-14-23(36-3)27-28(33)21(15-37-29(27)26(19)24)16-8-10-18(35-2)11-9-16/h4-12,14-15,19H,13H2,1-3H3
• InChIKey: HXPKETQLECSJAJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methoxy-3-(4-methoxyphenyl)-10-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC传统名: 5-methoxy-3-(4-methoxyphenyl)-10-(1-methyl-2-oxoquinolin-3-yl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

登记号

• PubChem SID: 164283287
• PubChem CID: 71754507

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.726064
• LogD (pH = 7.4): 3.7260642
• Log P: 3.7260642
• 摩尔折射率: 139.3605 cm^3
• 极化性: 53.113155 Å^3
• 极化表面积: 91.37 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds