HCID66774027

1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-2-methylpiperidin-1-yl}ethyl)-5,7-difluoroquinolin-2(1H)-one

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-2-methylpiperidin-1-yl]ethyl]-5,7-difluoroquinolin-2-one

C25H28F2N4O3470.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1CC(NCc2cc3c(cn2)OCCO3)CCN1CCn1c(=O)ccc2c(F)cc(F)cc21
InChIKey: PDPNMORHZKBCLQ-UHFFFAOYSA-N
分子式: C25H28F2N4O3
平均分子量: 470.5 g/mol
单同位素质量: 470.21294709

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 66.9 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 6
重原子: 34
形式电荷: 0
复杂度: 743

ALIASES

名称与别名

共 3 条

SCHEMBL705826PDPNMORHZKBCLQ-UHFFFAOYSA-N1-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-2-methylpiperidin-1-yl}ethyl)-5,7-difluoroquinolin-2(1H)-one

REACTIONS

参与反应

3 条

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875715B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08124602B2

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