N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide | 886900-37-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
• 英文别名: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• CAS: 886900-37-4
• 化学式: C₁₉H₁₉N₃O₅
• mdl: MFCD07194669
• 分子量: 369.377
• InChiKey: KPCPVFITICQTEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,4-二甲氧基苯乙胺 、 ethyl 2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate 以 乙醇 为溶剂， 反应 30.0h， 以80%的产率得到N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
  参考文献：
  名称：

  4-Hydroxy-2-quinolones 144. Alkyl-, arylalkyl-, and arylamides of 2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid and their diuretic properties

  摘要：

  Alkyl-, arylalkyl-, and arylamides of 2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid were prepared with a view to establishing a structure-biological activity relationship. A comparative analysis has been made of their diuretic properties and those of the structurally similar 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamides.

  DOI：

  10.1007/s10593-008-0076-7

文献信息

• 4-Hydroxy-2-quinolones 144. Alkyl-, arylalkyl-, and arylamides of 2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid and their diuretic properties
  作者：I. V. Ukrainets、I. A. Tugaibei、N. L. Bereznyakova、V. N. Kravchenko、A. V. Turov

  DOI：10.1007/s10593-008-0076-7

  日期：2008.5

  Alkyl-, arylalkyl-, and arylamides of 2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid were prepared with a view to establishing a structure-biological activity relationship. A comparative analysis has been made of their diuretic properties and those of the structurally similar 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamides.