8-[3-(4-苄基哌嗪-1-基)丙氧基]喹啉 | 189141-31-9

• 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
• 中文名称: 8-[3-(4-苄基哌嗪-1-基)丙氧基]喹啉
• 英文名称: 8-[3-(4-Benzylpiperazin-1-yl)propoxy]quinoline
• CAS: 189141-31-9
• 化学式: C₂₃H₂₇N₃O
• 分子量: 361.487
• InChiKey: PKSMOCBMTRBBOC-UHFFFAOYSA-N

物化性质

• 熔点：
  191 °C
• 沸点：
  535.2±45.0 °C(Predicted)
• 密度：
  1.141±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  28.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-苄基哌嗪 、 1-氯-3-(8-喹啉氧基)丙烷 以 N,N-二甲基甲酰胺 为溶剂， 以72.5%的产率得到8-[3-(4-苄基哌嗪-1-基)丙氧基]喹啉
  参考文献：
  名称：

  Synthesis and evaluation of 1-(quinoliloxypropyl)-4-aryl piperazines for atypical antipsychotic effect

  摘要：

  A series of 1-(quinoliloxypropyl)-4-aryl-piperazines has been synthesized and the target compounds evaluated for atypical antipsychotic activity in apomorphine induced mesh climbing and stereotypic behaviour in mice. The 8-hydroxyquinoline ether derivative 14 has emerged as an important lead compound showing a potential atypical antipsychotic profile. Employing appropriate physicochemical properties, the similarity of the compounds was assessed with respect to some atypical antipsychotic drugs as clozapine, ketanserine, ziprasidone and risperidone. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.019

文献信息

• Synthesis and evaluation of 1-(quinoliloxypropyl)-4-aryl piperazines for atypical antipsychotic effect
  作者：Alka Bali、Sarika Malhotra、Himjyoti Dhir、Anil Kumar、Ajay Sharma

  DOI：10.1016/j.bmcl.2009.04.019

  日期：2009.6

  A series of 1-(quinoliloxypropyl)-4-aryl-piperazines has been synthesized and the target compounds evaluated for atypical antipsychotic activity in apomorphine induced mesh climbing and stereotypic behaviour in mice. The 8-hydroxyquinoline ether derivative 14 has emerged as an important lead compound showing a potential atypical antipsychotic profile. Employing appropriate physicochemical properties, the similarity of the compounds was assessed with respect to some atypical antipsychotic drugs as clozapine, ketanserine, ziprasidone and risperidone. (C) 2009 Elsevier Ltd. All rights reserved.