4-methyl-7-phenoxy-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one

• ChemBase编号: 242806
• 分子式: C19H17NO2
• 平均质量: 291.34378
• 单一同位素质量: 291.12592879
• SMILES: n1(c2c(c(=O)c3c1ccc(c3)Oc1ccccc1)CCC2)C
• Canonical SMILES: O=c1c2CCCc2n(c2c1cc(cc2)Oc1ccccc1)C
• InChI: InChI=1S/C19H17NO2/c1-20-17-9-5-8-15(17)19(21)16-12-14(10-11-18(16)20)22-13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3
• InChIKey: IEPAVMQFOSNIHD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-7-phenoxy-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one
• IUPAC传统名: 4-methyl-7-phenoxy-1H,2H,3H-cyclopenta[b]quinolin-9-one
• 别名: 4-methyl-7-phenoxy-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one

登记号

• MDL号: MFCD02115681
• PubChem SID: 164298716
• PubChem CID: 23820664

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.9425693
• LogD (pH = 7.4): 3.9425693
• Log P: 3.9425693
• 摩尔折射率: 88.3923 cm^3
• 极化性: 33.04368 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 3.449

产品相关信息

• 纯度: 95%