uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071592B2
查看![7-Chloro-6-{[({(3S,4S)-1-[2-(7-fluoro-2-oxo-1(2H)-quinolinyl)ethyl]-4-hydroxy-3-pyrrolidinyl}methyl)amino]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one 分子结构式](/api/mol/25032965/svg/360x280.svg)
HCID25032965
7-Chloro-6-{[({(3S,4S)-1-[2-(7-fluoro-2-oxo-1(2H)-quinolinyl)ethyl]-4-hydroxy-3-pyrrolidinyl}methyl)amino]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
7-chloro-6-[[[(3S,4S)-1-[2-(7-fluoro-2-oxoquinolin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
C24H25ClFN5O4501.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C1COc2cc(Cl)c(CNC[C@H]3CN(CCn4c(=O)ccc5ccc(F)cc54)C[C@H]3O)nc2N1
- InChIKey
- OYJLYLIPTGBACH-MGPUTAFESA-N
- 分子式
- C24H25ClFN5O4
- 平均分子量
- 501.9 g/mol
- 单同位素质量
- 501.1579102
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 107 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 821
ALIASES
名称与别名
SCHEMBL4297663OYJLYLIPTGBACH-MGPUTAFESA-N7-Chloro-6-{[({(3S,4S)-1-[2-(7-fluoro-2-oxo-1(2H)-quinolinyl)ethyl]-4-hydroxy-3-pyrrolidinyl}methyl)amino]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
REACTIONS
参与反应