7-chloro-4-hydroxy-2-(-1-methylbutyl)-1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-dione

• 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-chloro-4-hydroxy-2-(-1-methylbutyl)-1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-dione
• 英文别名: 7-Chloro-2-pentan-2-yl-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione
• 化学式: C₁₆H₁₆ClN₃O₃
• 分子量: 333.774
• InChiKey: OMQSKIJLYKGUOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Alpha-substituted pyridazino quinoline compounds
  申请人：ZENECA LIMITED

  公开号：EP0736531A1

  公开（公告）日：1996-10-09

  The invention relates to alpha-substituted pyridazinoquinoline compounds of the formula I: wherein Ring A is chosen from an ortho fused aromatic or heteroaromatic five- or six-membered ring; R1 is selected from a variety of substituents including halogen, (1-4C)alkyl and nitro; R2 is selected from a group of the formula R2', R2'' or R2''' wherein R2' is -CHR3(CH2)nC(O)NR5R6; R2'' is -CHR3(CH2)nR4 and R2''', is -CHR3(CH2)nL wherein n is 0-6; R5 is aryl or substituted aryl; R6 is (1-6C)alkyl or hydrogen; R3 is (1-6C)alkyl, (0-6C)alkylCF3 or (0-6C)alkylCOOR'; R4 is (1-6C)alkyl, (2-6C)alkyl containing a double or triple bond, or (0-6C)alkylaryl; L is a variety of substituents including phenyl, heteroaryl and CO2R'; R' is hydrogen or (1-4C)alkyl; Z is selected from oxo, -OH, H,H-, H, (1-6C)alkyl or (1-6C)alkylaryl; and R7 is hydrogen or -(CO)R8 wherein R8 is a variety of substituents including hydrogen and (1-12C) alkyl.

  本发明涉及式 I 的α-取代哒嗪喹啉化合物： 其中环 A 选自正交融合的芳香族或杂芳族五元或六元环；R1 选自各种取代基，包括卤素、(1-4C)烷基和硝基；R2选自式 R2'、R2''或 R2'''的基团，其中 R2'是-CHR3(CH2)nC(O)NR5R6；R2''是-CHR3(CH2)nR4，R2'''是-CHR3(CH2)nL，其中 n 是 0-6；R5 是芳基或取代芳基；R6 是(1-6C)烷基或氢；R3是(1-6C)烷基、(0-6C)烷基CF3或(0-6C)烷基COOR'；R4是(1-6C)烷基、含有双键或三键的(2-6C)烷基或(0-6C)烷芳基；L是各种取代基，包括苯基、杂芳基和 CO2R'；R' 是氢或 (1-4C) 烷基；Z 选自氧代、-OH、H、H-、H、(1-6C) 烷基或 (1-6C) 烷芳基；以及 R7 是氢或-(CO)R8，其中 R8 是包括氢和 (1-12C) 烷基在内的各种取代基。
• ALPHA-SUBSTITTUTED PYRIDAZINO QUINOLINE COMPOUNDS
  申请人：——

  公开号：US20010007869A1

  公开（公告）日：2001-07-12

  The invention relates to alpha-substituted pyridazino-quinoline compounds of the formula I: 1 wherein Ring A is chosen from an ortho fused aromatic or heteroaromatic five- or six-membered ring; R 1 is selected from a variety of substituents including halogen, (1-4C)alkyl and nitro; R 2 is selected from a group of the formula R2′, R2″ or R2″′ wherein R2′ is —CHR 3 (CH 2 ) n C(O)NR 5 R 6 ; R2″ is —CHR 3 (CH 2 ) n R 4 and R2″′ is —CHR 3 (CH 2 ) n L wherein n is 0-6; R 5 is aryl or substituted aryl; R 6 is (1-6C)alkyl or hydrogen; R 3 is (1-6C)alkyl, (0-6C) alkylCF 3 , or (0-6C)alkylCOOR′; R 4 is (1-6C)alkyl, (2-6C)alkyl containing a double or triple bond, or (0-6C)alkylaryl; L is a variety of substituents including phenyl, heteroaryl and CO 2 R′; R′ is hydrogen or (1-4C)alkyl; Z is selected from oxo, —OH, H, H —, H, (1-6C)alkyl or (1-6C)alkylaryl; and R 7 is hydrogen or —(CO)R 8 wherein R 8 is a variety of substituents including hydrogen and (1-12C) alkyl.

  本发明涉及式 I 的α-取代哒嗪-喹啉化合物： 1 其中环 A 选自正交融合的芳香族或杂芳族五元或六元环； R 1 选自各种取代基，包括卤素、(1-4C)烷基和硝基；R 2 选自式 R2′、R2″或 R2″′ 的基团，其中 R2′ 是 -CHR 3 (CH 2 ) n C(O)NR 5 R 6 R2″ 是-CHR 3 (CH 2 ) n R 4 和 R2″′ 是 -CHR 3 (CH 2 ) n L 其中 n 为 0-6; R 5 是芳基或取代芳基； R 6 是(1-6C)烷基或氢 3 是(1-6C)烷基、(0-6C)烷基CF 3 或(0-6C)烷基COOR′； R 4 是(1-6C)烷基、含有双键或三键的(2-6C)烷基或(0-6C)烷芳基；L 是各种取代基，包括苯基、杂芳基和 CO 2 R′；R′是氢或(1-4C)烷基；Z 选自氧代、-OH、H、H -、H、(1-6C)烷基或(1-6C)烷芳基；以及 R 7 是氢或-(CO)R 8 其中 R 8 是各种取代基，包括氢和（1-12C）烷基。
• PYRIDAZINOQUINOLINE COMPOUNDS
  申请人：AstraZeneca AB

  公开号：EP0790996B1

  公开（公告）日：2002-03-27
• US5837705A
  申请人：——

  公开号：US5837705A

  公开（公告）日：1998-11-17
• US6214826B1
  申请人：——

  公开号：US6214826B1

  公开（公告）日：2001-04-10