5,7-dimethyl-2-(2-oxo-1,2-dihydroquinolin-3-yl)-1,3-diazaadamantan-6-ol

• 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: 5,7-dimethyl-2-(2-oxo-1,2-dihydroquinolin-3-yl)-1,3-diazaadamantan-6-ol
• 英文别名: 3-(6-Hydroxy-5,7-dimethyl-1,3-diazaadamantan-2-yl)-1,2-dihydroquinolin-2-one；3-(6-hydroxy-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-1H-quinolin-2-one
• 化学式: C₁₉H₂₃N₃O₂
• 分子量: 325.411
• InChiKey: YRPJUZASKLKEAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,2-二氢-2-氧代喹啉-3-甲醛 、 9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane 以 乙醇 为溶剂， 生成 5,7-dimethyl-2-(2-oxo-1,2-dihydroquinolin-3-yl)-1,3-diazaadamantan-6-ol
  参考文献：
  名称：

  Synthesis and transformations of polyhedral compounds. Synthesis of 2-[quinolin-3(2)-yl]-1,3-diazaadamantanes

  摘要：

  A number of new 1,3-diazaadamantane derivatives containing quinoline fragments on C-2 have been synthesized by condensation of 1,5-dialkyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 1,5-dimethyl-3,7-diazabicyclo-[3.3.1]nonan-9-ol, and 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane with 2-oxo-1,2-dihydroquinoline-3-carbaldehyde, 2-chloro- and 2-iodoquinoline-3-carbaldehyde, and quinoline-2-carbaldehyde.

  DOI：

  10.1134/s1070428014100133

文献信息

• Synthesis and transformations of polyhedral compounds. Synthesis of 2-[quinolin-3(2)-yl]-1,3-diazaadamantanes
  作者：G. L. Arutyunyan、K. A. Gevorkyan、A. D. Arutyunyan、R. V. Paronikyan、G. M. Stepanyan、G. A. Panosyan

  DOI：10.1134/s1070428014100133

  日期：2014.10

  A number of new 1,3-diazaadamantane derivatives containing quinoline fragments on C-2 have been synthesized by condensation of 1,5-dialkyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 1,5-dimethyl-3,7-diazabicyclo-[3.3.1]nonan-9-ol, and 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane with 2-oxo-1,2-dihydroquinoline-3-carbaldehyde, 2-chloro- and 2-iodoquinoline-3-carbaldehyde, and quinoline-2-carbaldehyde.