4-(7-羟基-2-异丙基-8-甲氧基-4-氧代-3(4H)-喹唑啉基)苯甲腈 | 871814-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 4-(7-羟基-2-异丙基-8-甲氧基-4-氧代-3(4H)-喹唑啉基)苯甲腈
• 英文名称: 4-(7-Hydroxy-2-isopropyl-8-methoxy-4-oxo-3(4H)-quinazolinyl)benzonitrile
• 英文别名: 4-(7-hydroxy-8-methoxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
• CAS: 871814-49-2
• 化学式: C₁₉H₁₇N₃O₃
• 分子量: 335.4
• InChiKey: NRLBHPLWMGCODT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  85.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Quinazolinone Derivatives Useful as Vanilloid Antagonists
  申请人：Chen Weichun

  公开号：US20100197705A1

  公开（公告）日：2010-08-05

  There is described a new polymorphic form of 4-(7-Hydroxy-2-isopropyl-4-oxo-4H-quinazolin-3-yl)-benzonitrile having structural formula I(B) and to a method of preparing it. There is further a process or method for the manufacture of a pharmaceutically active quinazolinone compounds of the formula I wherein the symbols have the meanings given in the description, said process comprising reacting a compound of the formula II, wherein R 4 * is R 1 *—C(═O)— wherein R 1 * is independently selected from the group of meanings of R 1 as defined for a compound of the formula I so that R 1 * and R 1 are identical to or different from each other, or R 4 * is especially H, and R 1 and R 3 , R 5 and R 6 are as defined for a compound of the formula I, or a salt thereof, under simultaneous or sequential condensation and cyclisation conditions with an aniline compound of the formula III, wherein R 2 and m are as defined for a compound of the formula I. Further reactions and related embodiments are also claimed and disclosed.

  本文描述了一种4-(7-羟基-2-异丙基-4-氧代-4H-喹唑啉-3-基)-苯甲腈的新多晶型式I(B)，以及其制备方法。此外，本文还提供了一种制备具有式I中所给符号所表示含义的药物活性喹唑啉酮化合物的过程或方法，该过程包括将式II的化合物与式III的苯胺化合物在同时或顺序缩合和环化条件下反应，其中R4*为R1*—C(═O)—，其中R1*独立地选自于式I化合物所定义的R1的含义组，使得R1*和R1相同或不同，或R4*特别为H，而R1和R3、R5和R6如式I中所定义，或其盐。本文还声明和揭示了进一步的反应和相关实施方式。
• QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS
  申请人：Ritchie Timothy John

  公开号：US20110195983A1

  公开（公告）日：2011-08-11

  The present invention relates to the use of a quinazolinone compound of the formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 and m are as defined in the specification and in the claims, in free form or in salt form, and, where possible, in acid addition salt form, as a vanilloid.

  本发明涉及使用式（I）中R1，R2，R3，R4，R5和m如规范和要求中所定义的喹唑啉酮化合物，以自由形式或盐形式，如可能，以酸加盐形式，作为一种vanilloid。
• US7960399B2
  申请人：——

  公开号：US7960399B2

  公开（公告）日：2011-06-14
• US8211902B2
  申请人：——

  公开号：US8211902B2

  公开（公告）日：2012-07-03
• US8349852B2
  申请人：——

  公开号：US8349852B2

  公开（公告）日：2013-01-08