12-(3-ethoxy-4-hydroxyphenyl)-8,12-dihydro-7H-benzo[f]pyrimido[4,5-b]quinoline-9,11-dione

• 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: 12-(3-ethoxy-4-hydroxyphenyl)-8,12-dihydro-7H-benzo[f]pyrimido[4,5-b]quinoline-9,11-dione
• 英文别名: 18-(3-ethoxy-4-hydroxyphenyl)-11,13,15-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13,15-octaene-14,16-diol
• 化学式: C₂₃H₁₉N₃O₄
• 分子量: 401.422
• InChiKey: ZJEPWQJMFJOSQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  99.7
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙基香兰素 以 乙醇 、 正丁醇 为溶剂， 生成 12-(3-ethoxy-4-hydroxyphenyl)-8,12-dihydro-7H-benzo[f]pyrimido[4,5-b]quinoline-9,11-dione
  参考文献：
  名称：

  Reaction of hexahydropyirimidine-2,4,6-trione with naphthalen-2-amine and benzaldehydes

  摘要：

  Previously unknown 12-aryl-7,8,9,10,11,12-hexahydrobenzoV]pyrimido[4.5-blquinoline-9,11-diones were synthesized by three-component condensation of naphthalen-2-amine with substituted benzaldehydes and barbituric acid through intermediate 5-benzylidenebarbituric acids.

  DOI：

  10.1134/s1070428007030190

文献信息

• Synthesis of arylmethylpyrimidinetriones and pyrimidoquinolinediones with fluorescent and nonlinear-optical properties
  作者：N. G. Kozlov、S. L. Bondarev、B. A. Odnoburtsev、L. I. Basalaeva

  DOI：10.1134/s1070427207070178

  日期：2007.7

  5-Arylmethyl-2,4,6-(1H,3H,5H)pyrimidinetriones and 12-aryl-8,12-dihydrobenzo[f]pyrimido[4,5-b]quinoline-9,11-(7H,10H)diones were synthesized, and their spectral-luminescence and nonlinear-optical properties were examined.
• Reaction of hexahydropyirimidine-2,4,6-trione with naphthalen-2-amine and benzaldehydes
  作者：N. G. Kozlov、L. I. Basalaeva

  DOI：10.1134/s1070428007030190

  日期：2007.3

  Previously unknown 12-aryl-7,8,9,10,11,12-hexahydrobenzoV]pyrimido[4.5-blquinoline-9,11-diones were synthesized by three-component condensation of naphthalen-2-amine with substituted benzaldehydes and barbituric acid through intermediate 5-benzylidenebarbituric acids.