7-(1,1-Dimethyl-prop-2-ynyloxy)-4-methyl-1H-quinolin-2-one | 1332606-32-2

• 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: 7-(1,1-Dimethyl-prop-2-ynyloxy)-4-methyl-1H-quinolin-2-one
• 英文别名: 2(1H)-Quinolinone, 7-[(1,1-dimethyl-2-propyn-1-yl)oxy]-4-methyl-；4-methyl-7-(2-methylbut-3-yn-2-yloxy)-1H-quinolin-2-one
• CAS: 1332606-32-2
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: GYJPPLOUAABSGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-(1,1-Dimethyl-prop-2-ynyloxy)-4-methyl-1H-quinolin-2-one 以 various solvent(s) 为溶剂， 生成 4,8,8-trimethyl-2H,8H-pyrano<6,5-h>quinolin-2-one
  参考文献：
  名称：

  Antitumor agents 1871: Synthesis and cytotoxicity of substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-one and related compounds

  摘要：

  Several substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-ones and related compounds were synthesized and evaluated for their in vitro cytotoxicity against a panel of human tumor cell lines. The most active compound (3) showed significant cytotoxic activity with GI(50) values in the micromolar range. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00065-7
• 作为产物：
  描述：

  喹诺酮 124 在 硫酸 、 水 、 potassium carbonate 、 potassium iodide 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-(1,1-Dimethyl-prop-2-ynyloxy)-4-methyl-1H-quinolin-2-one
  参考文献：
  名称：

  Antitumor agents 1871: Synthesis and cytotoxicity of substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-one and related compounds

  摘要：

  Several substituted 8,8-dimethyl-2H,8H-pyrano[6,5-h]quinoline-2-ones and related compounds were synthesized and evaluated for their in vitro cytotoxicity against a panel of human tumor cell lines. The most active compound (3) showed significant cytotoxic activity with GI(50) values in the micromolar range. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00065-7