HCID21393366

2-(4-Cyanopiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonitrile

C15H18N6O2314.34 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc2nc(N3CCN(C#N)CC3)nc(N)c2cc1OC
InChIKey: ROBVTMWEQLGULZ-UHFFFAOYSA-N
分子式: C15H18N6O2
平均分子量: 314.34 g/mol
单同位素质量: 314.14912384

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 101 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 446

ALIASES

名称与别名

共 4 条

SCHEMBL11739492ROBVTMWEQLGULZ-UHFFFAOYSA-N2-(4-cyanopiperazin-1-yl)-4-amino 6,7-dimethoxyquinazoline2-(4-Cyanopiperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

REACTIONS

参与反应

12 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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