1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-1-methylhexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-1-methylhexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid · CAS 151213-35-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-1-methylhexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- CAS
- 151213-35-3
- CID
- 483161
- IUPAC 名称
- 1-cyclopropyl-6,8-difluoro-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-1-methylhexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- CAS
- 151213-35-3
- CID
- 483161
- IUPAC 名称
- 1-cyclopropyl-6,8-difluoro-7-(1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid
分子属性
- 分子式
- C21H23F2N3O3
- 分子量
- 403.4 g/mol
- 精确质量
- 403.17074793 Da
- 单同位素质量
- 403.17074793 Da
- XLogP
- 1.2
- 极性表面积
- 64.1 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 3
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 743
结构标识
- InChIKey
- ZYFQZJPFWHFSPY-UHFFFAOYSA-N
- SMILES
- CN1CCCC2C1CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F
- InChI
- InChI=1S/C21H23F2N3O3/c1-24-6-2-3-11-8-25(10-16(11)24)19-15(22)7-13-18(17(19)23)26(12-4-5-12)9-14(20(13)27)21(28)29/h7,9,11-12,16H,2-6,8,10H2,1H3,(H,28,29)