1-hydroxy-3-oxo-5,6-dihydro-3H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid sec-butylamide | 376381-68-9

• 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: 1-hydroxy-3-oxo-5,6-dihydro-3H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid sec-butylamide
• 英文别名: N-(sec-butyl)-1-hydroxy-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide；N-butan-2-yl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
• CAS: 376381-68-9
• 化学式: C₁₇H₂₀N₂O₃
• 分子量: 300.357
• InChiKey: BHDBPJHBGXHANO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,2,3,4-四氢喹啉 以 二苯醚 、 乙醇 为溶剂， 反应 0.33h， 生成 1-hydroxy-3-oxo-5,6-dihydro-3H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid sec-butylamide
  参考文献：
  名称：

  4-Hydroxy-2-quinolones. 194*. 1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid alkylamides. Synthesis, structure, and biological properties

  摘要：

  Modified methods are proposed for the preparation of the ethyl ester and alkylamides of 1-hydroxy-3- oxo-6,7-dihydro-3H, 5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid. A comparative analysis has been carried out of the steric structure and diuretic activity of the synthesized compounds and the previously studied, and closely structurally related, 1-hydroxy-3-oxo-5,6-dihydro-3H-pyrrolo-[3,2,1-ij]quinoline-2-carboxamides.

  DOI：

  10.1007/s10593-011-0692-5

文献信息

• 4-Hydroxy-2-quinolones. 194*. 1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid alkylamides. Synthesis, structure, and biological properties
  作者：I. V. Ukrainets、N. Yu. Golik、K. V. Andreeva、O. V. Gorokhova

  DOI：10.1007/s10593-011-0692-5

  日期：2011.3

  Modified methods are proposed for the preparation of the ethyl ester and alkylamides of 1-hydroxy-3- oxo-6,7-dihydro-3H, 5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid. A comparative analysis has been carried out of the steric structure and diuretic activity of the synthesized compounds and the previously studied, and closely structurally related, 1-hydroxy-3-oxo-5,6-dihydro-3H-pyrrolo-[3,2,1-ij]quinoline-2-carboxamides.