1H,5H-Benzo[ij]quinolizine-6-carboxamide, 2,3-dihydro-7-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-oxo- | 377063-95-1

• 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: 1H,5H-Benzo[ij]quinolizine-6-carboxamide, 2,3-dihydro-7-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-oxo-
• 英文别名: 4-hydroxy-N-(3-hydroxypyridin-2-yl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
• CAS: 377063-95-1
• 化学式: C₁₈H₁₅N₃O₄
• 分子量: 337.335
• InChiKey: FEDYBGBIQOFYJY-UHFFFAOYSA-N

物化性质

• 熔点：
  191-193 °C(Solv: N,N-dimethylformamide (68-12-2))
• 沸点：
  676.1±55.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-3-羟基吡啶 、 ethyl 7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxylate 以 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到1H,5H-Benzo[ij]quinolizine-6-carboxamide, 2,3-dihydro-7-hydroxy-N-(3-hydroxy-2-pyridinyl)-5-oxo-
  参考文献：
  名称：

  4-Hydroxy-2-quinolones 148. Synthesis and antitubercular activity of 1-hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid N-R-amides

  摘要：

  An improved method for the preparation of ethyl 1-hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylate has been proposed and a series of hetarylamides has been synthesized from it. A comparative analysis has been carried out of the antitubercular activities of the synthesized compounds with the active structural analogs 4-hydroxy-2-oxo-1,2-dihydroquinoline-3 and 1-hydroxy-3-oxo-5,6-dihydro-3H-pyrrolo[3,2,1-ij]quinoline-2-carboxamides studied before.

  DOI：

  10.1007/s10593-008-0139-9

文献信息

• COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS
  申请人：Neamati Nouri

  公开号：US20090088420A1

  公开（公告）日：2009-04-02

  Pharmacophore models to be used in drug design and discovery are provided. An in silico protocol and in vitro assays are presented. Compounds and their pharmaceutically acceptable salts with HIV-1 integrase inhibitory and anti-HIV activity and use thereof in the treatment of HIV/AIDS and related infections either alone or in combination with all the known antiretroviral therapeutics are described.
• US8183236B2
  申请人：——

  公开号：US8183236B2

  公开（公告）日：2012-05-22