4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylic acid diethylaminoethylamide

• 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: 4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylic acid diethylaminoethylamide
• 英文别名: N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide；N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
• 化学式: C₁₉H₂₇N₃O₃
• mdl: MFCD03043469
• 分子量: 345.442
• InChiKey: ZFSXKJXMPHQRKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylic acid diethylaminoethylamide 在 2-溴乙基乙酸酯 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以70%的产率得到4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylic acid diethylaminoethylamide hydrobromide
  参考文献：
  名称：

  4-Hydroxy-2-quinolones 155*. Bioreversible chemical modification of chinoxycaine at the tertiary amino group as a method of improving its pharmaceutical activity

  摘要：

  There are discussed several variants of the chemical modification of the local anesthetic chinoxicaine at the tertiary amino group, initially in use as the hydrochloride. It was found that a significant improvement in its pharmaceutical properties can be achieved by exchange of the hydrogen chloride for an alternative salt forming acid component.

  DOI：

  10.1007/s10593-009-0326-3
• 作为产物：
  描述：

  N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-propyl-1,2-dihydro-3-quinolinecarboxamide hydrochloride 在 sodium hydroxide 作用下， 生成 4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylic acid diethylaminoethylamide
  参考文献：
  名称：

  4-Hydroxy-2-quinolones 155*. Bioreversible chemical modification of chinoxycaine at the tertiary amino group as a method of improving its pharmaceutical activity

  摘要：

  There are discussed several variants of the chemical modification of the local anesthetic chinoxicaine at the tertiary amino group, initially in use as the hydrochloride. It was found that a significant improvement in its pharmaceutical properties can be achieved by exchange of the hydrogen chloride for an alternative salt forming acid component.

  DOI：

  10.1007/s10593-009-0326-3