uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2
查看![1-(2-(4-((2,3-dihydro-1,4-dioxino[2,3-c]pyridin-7-yl)methylamino)piperidin-1-yl)ethyl)-7-methoxy-5-(pyridin-4-yl)quinoxalin-2(1H)-one 分子结构式](/api/mol/59398293/svg/360x280.svg)
HCID59398293
1-(2-(4-((2,3-dihydro-1,4-dioxino[2,3-c]pyridin-7-yl)methylamino)piperidin-1-yl)ethyl)-7-methoxy-5-(pyridin-4-yl)quinoxalin-2(1H)-one
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-5-pyridin-4-ylquinoxalin-2-one
C29H32N6O4528.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(-c2ccncc2)c2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
- InChIKey
- DKPWLBDOXVFXSO-UHFFFAOYSA-N
- 分子式
- C29H32N6O4
- 平均分子量
- 528.6 g/mol
- 单同位素质量
- 528.24850352
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 101 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 8
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 833
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL2793847DKPWLBDOXVFXSO-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-dioxino[2,3-c]pyridin-7-yl)methylamino)piperidin-1-yl)ethyl)-7-methoxy-5-(pyridin-4-yl)quinoxalin-2(1H)-one
REACTIONS
