7-methyl-4-(quinolin-6-yl)-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione

• ChemBase编号: 227561
• 分子式: C18H14N2O3
• 平均质量: 306.31536
• 单一同位素质量: 306.10044232
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1cc2c(nccc2)cc1
• Canonical SMILES: O=C1Oc2cc(C)[nH]c(=O)c2C(C1)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C18H14N2O3/c1-10-7-15-17(18(22)20-10)13(9-16(21)23-15)11-4-5-14-12(8-11)3-2-6-19-14/h2-8,13H,9H2,1H3,(H,20,22)
• InChIKey: HGCPNNGGJIEBQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methyl-4-(quinolin-6-yl)-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione
• IUPAC传统名: 7-methyl-4-(quinolin-6-yl)-3H,4H,6H-pyrano[3,2-c]pyridine-2,5-dione

登记号

• PubChem SID: 164283471
• PubChem CID: 71754690

理论计算性质

• Acid pKa: 10.916252
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.4601547
• LogD (pH = 7.4): 1.4964136
• Log P: 1.4970168
• 摩尔折射率: 86.0539 cm^3
• 极化性: 33.544518 Å^3
• 极化表面积: 68.29 Å^2
• 可自由旋转的化学键: 1
• 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