2-(allylamino)-1-(2,8-bis(trifluoromethyl)quinolin-4-yl)ethanol | 1223578-55-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(allylamino)-1-(2,8-bis(trifluoromethyl)quinolin-4-yl)ethanol
• 英文别名: WR308255；1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(prop-2-enylamino)ethanol
• CAS: 1223578-55-9
• 化学式: C₁₆H₁₄F₆N₂O
• 分子量: 364.29
• InChiKey: ZHJWOYANHXDIFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  45.2
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-[2,8-二(三氟甲基)-4-喹啉基]环氧乙烷 、 丙烯胺 以 乙醇 为溶剂， 130.0 ℃ 、1.9 MPa 条件下， 以94%的产率得到2-(allylamino)-1-(2,8-bis(trifluoromethyl)quinolin-4-yl)ethanol
  参考文献：
  名称：

  Structure–activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum

  摘要：

  Utilizing mefloquine as a scaffold, a next generation quinoline methanol (NGQM) library was constructed to identify early lead compounds that possess biological properties consistent with the target product pro. le for malaria chemoprophylaxis while reducing permeability across the blood-brain barrier. The library of 200 analogs resulted in compounds that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Herein we report selected chemotypes and the emerging structure activity relationship for this library of quinoline methanols. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.01.001