2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one | 687633-12-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one
• CAS: 687633-12-1
• 化学式: C₁₄H₁₇N₃O
• 分子量: 243.308
• InChiKey: RNYIHDWEKANJFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one 在 盐酸 、 sodium cyanoborohydride 作用下， 以 1,4-二氧六环 、 甲醇 、 溶剂黄146 为溶剂， 反应 19.0h， 生成 2-{[1-(piperidin-4-yl)piperidin-4-yl]methyl}-3H-quinazolin-4-one
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOUND
  [FR] COMPOSÉ PHARMACEUTIQUE

  摘要：

  A compound comprising the following formula: wherein R1 is selected from H and a substituted or unsubstituted organic group; R2 may be present or absent and is independently selected from H and a substituted or unsubstituted organic group; R1 and R2 may together form a ring; R3 is independently selected from H and a substituted or unsubstituted organic group; R6 may be present or absent and is independently selected from H and a substituted or unsubstituted organic group; Z1 and Z2 are independently selected from C and N; and L comprises an organic group as defined herein.

  公开号：

  WO2023156386A2
• 作为产物：
  描述：

  tert-butyl 4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以90 %的产率得到2-(piperidin-4-ylmethyl)-3H-quinazolin-4-one
  参考文献：
  名称：

  [EN] PHARMACEUTICAL COMPOUND
  [FR] COMPOSÉ PHARMACEUTIQUE

  摘要：

  A compound comprising the following formula: wherein R1 is selected from H and a substituted or unsubstituted organic group; R2 may be present or absent and is independently selected from H and a substituted or unsubstituted organic group; R1 and R2 may together form a ring; R3 is independently selected from H and a substituted or unsubstituted organic group; R6 may be present or absent and is independently selected from H and a substituted or unsubstituted organic group; Z1 and Z2 are independently selected from C and N; and L comprises an organic group as defined herein.

  公开号：

  WO2023156386A2