1-[4-(morpholin-4-yl)phenylamino]-5-(3-nitrophenyl)isoquinoline | 1044668-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1-[4-(morpholin-4-yl)phenylamino]-5-(3-nitrophenyl)isoquinoline
• 英文别名: N-(4-morpholin-4-ylphenyl)-5-(3-nitrophenyl)isoquinolin-1-amine
• CAS: 1044668-59-8
• 化学式: C₂₅H₂₂N₄O₃
• 分子量: 426.475
• InChiKey: WFCBZRKATZLITN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  83.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• SUBSTITUTE ISOQUINOLINES USEFUL IN THE TREATMENT OF DISEASES SUCH AS CANCER AND ATHEROSCLEROSIS
  申请人：Washio Yoshiaki

  公开号：US20090291949A1

  公开（公告）日：2009-11-26

  A compound of Formula (I): or a salt or solvate thereof, wherein: One of R 1 and R 2 is H and the other represents —NHCONHR 4 , wherein R 4 represents a phenyl or naphthyl group which may be optionally substituted by one or more substituents independently selected from —C 1-6 alkyl, —C 1-6 haloalkyl, halogen, C 1-6 alkoxy, C 1-6 haloalkoxy, OH, NO 2 , C 3-7 cycloalkyl, indanyl, or R 4 together with the NH to which it is bonded forms a morpholino group; and R 3 is H or NHR 5 wherein R 5 is H, -quinolinyl or -isoquinolinyl, —(CONH) p phenyl wherein p is 0 or 1 and the phenyl is optionally substituted by one or more substituents independently selected from halogen, —C 1-6 alkyl, —C 1-6 haloalkyl, -morpholino, —SO 2 NH 2 , and methyl substituted benzothiazole.

  化合物的化学式为（I）或其盐或溶剂化合物，其中： R1和R2中的一个是H，另一个表示为—NHCONHR4，其中R4表示苯基或萘基，可以选择地由一个或多个取代基独立选择从—C1-6烷基，—C1-6卤代烷基，卤素，C1-6烷氧基，C1-6卤代烷氧基，OH，NO2，C3-7环烷基，吲哚基或R4与其连接的NH形成吗啡环基；而R3是H或NHR5，其中R5是H，-喹啉基或-异喹啉基，—（CONH）pphenyl，其中p为0或1，苯基可以选择地由一个或多个取代基独立选择从卤素，—C1-6烷基，—C1-6卤代烷基，-吗啡环基，—SO2NH2和甲基取代苯并噻唑基。