2-(4-fluorophenyl)-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine

• ChemBase编号: 522591
• 分子式: C19H18FN3O2
• 平均质量: 339.3635232
• 单一同位素质量: 339.13830505
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)c1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C19H18FN3O2/c1-13-2-7-18-21-16(11-23(18)10-13)19(24)22-8-9-25-17(12-22)14-3-5-15(20)6-4-14/h2-7,10-11,17H,8-9,12H2,1H3
• InChIKey: QNLOISNQYSZNEN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-fluorophenyl)-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• IUPAC传统名: 2-(4-fluorophenyl)-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• 别名: 2-{[2-(4-fluorophenyl)-4-morpholinyl]carbonyl}-6-methylimidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.6563563
• LogD (pH = 7.4): 2.665142
• Log P: 2.6652553
• 摩尔折射率: 93.0511 cm^3
• 极化性: 34.493217 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.01
• LOG S: -3.39
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 2