N-cycloheptyl-4-oxo-1H-quinoline-3-carboxamide | 1000376-76-0

• 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: N-cycloheptyl-4-oxo-1H-quinoline-3-carboxamide
• CAS: 1000376-76-0
• 化学式: C₁₇H₂₀N₂O₂
• 分子量: 284.358
• InChiKey: KMNJPKZUVXAKNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-cycloheptyl-4-oxo-1H-quinoline-3-carboxamide 、 N-(2-氯乙基)吗啉盐酸盐 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 N-cycloheptyl-1-(2-morpholinoethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
  参考文献：
  名称：

  New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists

  摘要：

  A series of new 1,8-naphthyridine and quinoline derivatives were synthesized and evaluated for their cannabinoid receptor affinity. In particular, compounds 2, 5, 11, and 13 showed a high CB2 affinity and CB2 versus CB1 selectivity, in agreement with molecular modeling studies. Furthermore, compound 2 also exhibited in vivo antinociceptive effects. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.089
• 作为产物：
  描述：

  环庚胺 、 1,4-二氢-4-氧代-3-喹啉羧酸乙酯 反应 24.0h， 以77%的产率得到N-cycloheptyl-4-oxo-1H-quinoline-3-carboxamide
  参考文献：
  名称：

  New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists

  摘要：

  A series of new 1,8-naphthyridine and quinoline derivatives were synthesized and evaluated for their cannabinoid receptor affinity. In particular, compounds 2, 5, 11, and 13 showed a high CB2 affinity and CB2 versus CB1 selectivity, in agreement with molecular modeling studies. Furthermore, compound 2 also exhibited in vivo antinociceptive effects. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.089