3-(4-Methyl-piperazin-1-yl)-quinolin-6-ylamine | 745017-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-(4-Methyl-piperazin-1-yl)-quinolin-6-ylamine
• CAS: 745017-69-0
• 化学式: C₁₄H₁₈N₄
• 分子量: 242.324
• InChiKey: XYEQYMIUTCYEMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  45.39
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5-氯-3-甲基苯并(B)噻吩-2-磺酰氯 、 3-(4-Methyl-piperazin-1-yl)-quinolin-6-ylamine 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以32%的产率得到5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-amide
  参考文献：
  名称：

  Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT6 receptor

  摘要：

  The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinites for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high afffinity (pK(i) > 8) for the 5-HT6 receptor and > 100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00558-3
• 作为产物：
  描述：

  3-(4-Methyl-piperazin-1-yl)-6-nitro-quinoline 在 铁粉 、 氯化铵 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以96%的产率得到3-(4-Methyl-piperazin-1-yl)-quinolin-6-ylamine
  参考文献：
  名称：

  Novel (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides with high affinity and selectivity for the 5-HT6 receptor

  摘要：

  The discovery of (4-piperazin-1-ylquinolin-6-yl) arylsulfonamides and their binding affinites for a selection of 5-HT and dopamine subreceptors is described. Many compounds show high afffinity (pK(i) > 8) for the 5-HT6 receptor and > 100-fold selectivity against a range of other receptors. Structure-activity relationships of these compounds are discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00558-3