uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367831B2
查看![1-(2-{4-[(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}ethyl)-7-(methyloxy)-1,5-naphthyridin-2(1H)-one Hydrochloride 分子结构式](/api/mol/68927189/svg/360x280.svg)
HCID68927189
1-(2-{4-[(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}ethyl)-7-(methyloxy)-1,5-naphthyridin-2(1H)-one Hydrochloride
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
C24H30ClN5O4488 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.Cl
- InChIKey
- LRVXZJOSBYOYCS-UHFFFAOYSA-N
- 分子式
- C24H30ClN5O4
- 平均分子量
- 488 g/mol
- 单同位素质量
- 487.1986321
COMPUTED
结构计算性质
- 极性表面积
- 89.1 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 686
ALIASES
名称与别名
SCHEMBL4136901LRVXZJOSBYOYCS-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one hydrochloride1-(2-{4-[(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}ethyl)-7-(methyloxy)-1,5-naphthyridin-2(1H)-one Hydrochloride
REACTIONS
