7-(2-chloro-6-bromoquinolin-4-yloxy)-4-methyl-2H-chromen-2-one | 1415232-57-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-(2-chloro-6-bromoquinolin-4-yloxy)-4-methyl-2H-chromen-2-one
• 英文别名: 7-(2-Chloro-6-bromoquinolin-4-yloxy)-4-methyl-2h-chromen-2-one；7-(6-bromo-2-chloroquinolin-4-yl)oxy-4-methylchromen-2-one
• CAS: 1415232-57-3
• 化学式: C₁₉H₁₁BrClNO₃
• 分子量: 416.658
• InChiKey: HHLCVGIBALIOMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  间苯二酚 在 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 7-(2-chloro-6-bromoquinolin-4-yloxy)-4-methyl-2H-chromen-2-one
  参考文献：
  名称：

  Ultrasound-promoted synthesis, biological evaluation and molecular docking of novel 7-(2-chloroquinolin-4-yloxy)-4-methyl-2H-chromen-2-one derivatives

  摘要：

  A series of quinoline-based coumarin derivatives have been synthesized by one pot dehydrochlorination of 2,4-dichloroquinolines (1a-g); 7-hydroxy-4-methyl-2H-chromen-2-one (2) under ultrasonic irradiation method with high regio selectivity. All the synthesized compounds were characterized through spectral data and screened against representative antibacterial and antioxidant activities. Some of the compounds are found to be equipotent or more potent than that of standard drugs. Molecular docking studies show that the binding energy value of the compounds is very less than that of standard chloroquine and amodiaquine drugs.

  DOI：

  10.1007/s00044-012-0290-9

文献信息

• Ultrasound-promoted synthesis, biological evaluation and molecular docking of novel 7-(2-chloroquinolin-4-yloxy)-4-methyl-2H-chromen-2-one derivatives
  作者：G. L. Balaji、K. Rajesh、R. Priya、P. Iniyavan、R. Siva、V. Vijayakumar

  DOI：10.1007/s00044-012-0290-9

  日期：2013.7

  A series of quinoline-based coumarin derivatives have been synthesized by one pot dehydrochlorination of 2,4-dichloroquinolines (1a-g); 7-hydroxy-4-methyl-2H-chromen-2-one (2) under ultrasonic irradiation method with high regio selectivity. All the synthesized compounds were characterized through spectral data and screened against representative antibacterial and antioxidant activities. Some of the compounds are found to be equipotent or more potent than that of standard drugs. Molecular docking studies show that the binding energy value of the compounds is very less than that of standard chloroquine and amodiaquine drugs.