| 780747-20-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 780747-20-8
• 化学式: C₁₅H₁₉FN₂O₂
• 分子量: 278.326
• InChiKey: SJJBLDQNKWGYRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 5-(2-bromoethoxy)-2-methylquinoline 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成 8-Fluoro-4-methyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
  参考文献：
  名称：

  Studies on a series of potent, orally bioavailable, 5-HT1 receptor ligands

  摘要：

  A series of 5-(piperidinylethyloxy)quinoline 5-HT1 receptor ligands have been studied by elaboration of the series of dual 5-HT1-SSRIs reported previously. These new compounds display a different pharmacological profile with potent affinity across the 5-HT1A, 5-HT1B and 5-HT1D receptors and selectivity against the serotonin transporter. Furthermore, they have improved pharmacokinetic profiles and CNS penetration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.078
• 作为产物：
  描述：

  tert-butyl 4-[(8-fluoro-4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]piperidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Studies on a series of potent, orally bioavailable, 5-HT1 receptor ligands

  摘要：

  A series of 5-(piperidinylethyloxy)quinoline 5-HT1 receptor ligands have been studied by elaboration of the series of dual 5-HT1-SSRIs reported previously. These new compounds display a different pharmacological profile with potent affinity across the 5-HT1A, 5-HT1B and 5-HT1D receptors and selectivity against the serotonin transporter. Furthermore, they have improved pharmacokinetic profiles and CNS penetration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.078