HCID22030942

6-Methoxy-4-(2-methylindol-5-yloxy)-7-(1-(2-(pyrrolidin-1-yl)ethyl)-piperidin-4-ylmethoxy)quinazoline

6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methoxy]quinazoline

C30H37N5O3515.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCC1CCN(CCN2CCCC2)CC1
InChIKey: JLROULFIQSVDDO-UHFFFAOYSA-N
分子式: C30H37N5O3
平均分子量: 515.6 g/mol
单同位素质量: 515.28964006

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 75.7 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 38
形式电荷: 0
复杂度: 731

ALIASES

名称与别名

共 4 条

SCHEMBL4380668JLROULFIQSVDDO-UHFFFAOYSA-N6-methoxy-4-(2-methylindol-5-yloxy)-7-(1-(2-(pyrrolidin-1-yl)ethyl)-piperidin-4-ylmethoxy)quinazoline6-methoxy-4-(2-methylindol-5-yloxy)-7-(1-(2-(pyrrolidin-1-yl)ethyl)-piperidin4-ylmethoxy)quinazoline

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492560B2

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uspto-grants-2006_07 · 10.6084/m9.figshare.5104873.v1 · US07074800B1

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