3-Acetyl-4-hydroxy-6-nitro-1H-quinolin-2-one | 678143-37-8

• 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: 3-Acetyl-4-hydroxy-6-nitro-1H-quinolin-2-one
• 英文别名: 3-acetyl-4-hydroxy-6-nitro-1H-quinolin-2-one
• CAS: 678143-37-8
• 化学式: C₁₁H₈N₂O₅
• 分子量: 248.195
• InChiKey: YDVVERCUBYVPEB-UHFFFAOYSA-N

物化性质

• 沸点：
  554.2±50.0 °C(Predicted)
• 密度：
  1.569±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-肼基苯磺酰胺 、 3-Acetyl-4-hydroxy-6-nitro-1H-quinolin-2-one 以 乙醇 为溶剂， 反应 20.0h， 生成 4-(3-methyl-8-nitro-4-oxo-4,5-dihydro-1H-pyrazolo[4,3-c]quinolin-1-yl)benzenesulfonamide
  参考文献：
  名称：

  1,2-Diaryl-1-ethanone and pyrazolo [4,3-c] quinoline-4-one as novel selective cyclooxygenase-2 inhibitors

  摘要：

  Novel 1,2-diaryl-1-ethanone I and pyrazolo [4,3-c] quinoline-4-one 2, with pharmacophores different from the known COX inhibitors were identified as selective COX-2 inhibitors. The communication briefly describes SAR of both the series. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.052
• 作为产物：
  描述：

  2-甲基-6-硝基-4H-苯并[d][1,3]恶嗪-4-酮 、 乙酰乙酸乙酯 在 potassium tert-butylate 、 sodium hydroxide 、 碳酸氢钠 作用下， 以 叔丁醇 为溶剂， 反应 3.0h， 生成 3-Acetyl-4-hydroxy-6-nitro-1H-quinolin-2-one
  参考文献：
  名称：

  1,2-Diaryl-1-ethanone and pyrazolo [4,3-c] quinoline-4-one as novel selective cyclooxygenase-2 inhibitors

  摘要：

  Novel 1,2-diaryl-1-ethanone I and pyrazolo [4,3-c] quinoline-4-one 2, with pharmacophores different from the known COX inhibitors were identified as selective COX-2 inhibitors. The communication briefly describes SAR of both the series. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.052

文献信息

• 1,2-Diaryl-1-ethanone and pyrazolo [4,3-c] quinoline-4-one as novel selective cyclooxygenase-2 inhibitors
  作者：Bipul Baruah、Kavitha Dasu、Balasubramanian Vaitilingam、Akhila Vanguri、Seshagiri Rao Casturi、Koteswar Rao Yeleswarapu

  DOI：10.1016/j.bmcl.2003.10.052

  日期：2004.1

  Novel 1,2-diaryl-1-ethanone I and pyrazolo [4,3-c] quinoline-4-one 2, with pharmacophores different from the known COX inhibitors were identified as selective COX-2 inhibitors. The communication briefly describes SAR of both the series. (C) 2003 Elsevier Ltd. All rights reserved.