3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2-(N-methylthiocarbamoyloxymethyl)-4(3H)-quinazolinone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2-(N-methylthiocarbamoyloxymethyl)-4(3H)-quinazolinone
• 英文别名: Ethyl 3-(2-chlorophenyl)-5,7-dimethyl-2-(methylcarbamothioyloxymethyl)-4-oxoquinazoline-6-carboxylate
• 化学式: C₂₂H₂₂ClN₃O₄S
• 分子量: 459.953
• InChiKey: LQUXKKAYLXFEMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  benzene-chloroform 、 2-hydroxymethyl-5,7-dimethyl-3-(2-chlorophenyl)-4-oxo-3,4-dihydroquinazoline-6-carboxylic acid ethyl ester 、 异硫氰酸甲酯 生成 3-(2-chlorophenyl)-6-ethoxycarbonyl-5,7-dimethyl-2-(N-methylthiocarbamoyloxymethyl)-4(3H)-quinazolinone
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 4(3H)-quinazolinone derivatives, process for production thereof and pharmaceutical compositions comprising said compounds
  申请人：Ishikawa, Masayuki

  公开号：EP0056637A1

  公开（公告）日：1982-07-28

  4(3H)-quinazolinones of formula wherein R1 and R3, independently from each other, represent a lower alkyl group; R2 represents a lower alkoxycarbonyl group; Q represents a phenyl group or a substituted phenyl group R4 represents a hydrogen atom or a lower alkyl group; R5 represents a member selected from the group consisting of a hydrogen atom, lower alkyl groups, lower halogenoalkyl groups, lower alkenyl groups, (lower)alkoxy-(lower)alkyl groups, hydroxy(lower)alkyl groups, (lower) alkylthio(lower)alkyl groups, (lower)alkylsulfinyl(lower) alkyl groups, (lower)alkylsulfonyl(lower)alkyl groups, di(lower)-alkylamino(lower)alkyl groups, a benzyl group, a phenethyl group, pyridyl(lower)alkyl groups, furfuryl groups, a phenyl group, and substituted phenyl groups. Z, and Z2, independently from each other, represent an oxygen or sulfur atom; and an acid addition salts thereof, are useful as hypotensive agents. There is also disclosed a process for the production of these derivatives and pharmaceutical compositions comprising said compounds.

  式中的 4(3H)-喹唑啉酮 式中 R1 和 R3 各自代表一个低级烷基 R2 代表低级烷氧基羰基 Q 代表苯基或取代苯基 R4 代表氢原子或低级烷基 R5 代表选自由氢原子、低级烷基、低级卤代烷基、低级烯基、(低级)烷氧基-(低级)烷基、羟基(低级)烷基、(低级)烷硫基(低级)烷基组成的组、(低级)烷基亚磺酰(低级)烷基、(低级)烷基磺酰基、二(低级)烷基氨基(低级)烷基、苄基、苯乙基、吡啶基(低级)烷基、糠基、苯基和取代苯基。 Z和Z2相互独立地代表氧原子或硫原子；其酸加成盐可用作降血压剂。还公开了一种生产这些衍生物和包含上述化合物的药物组合物的工艺。
• US4451467A
  申请人：——

  公开号：US4451467A

  公开（公告）日：1984-05-29