HCID57545295

1-[4-amino-2-ethoxymethyl-7-(1-methyl-1H-imidazol-2-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-(ethoxymethyl)-7-[(1-methylimidazol-2-yl)methoxy]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C22H28N6O3424.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOCc1nc2c(N)nc3cc(OCc4nccn4C)ccc3c2n1CC(C)(C)O
InChIKey: NFWJQFOBLAVJKX-UHFFFAOYSA-N
分子式: C22H28N6O3
平均分子量: 424.5 g/mol
单同位素质量: 424.22228878

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 113 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 8
重原子: 31
形式电荷: 0
复杂度: 596

ALIASES

名称与别名

共 3 条

SCHEMBL1486623NFWJQFOBLAVJKX-UHFFFAOYSA-N1-[4-amino-2-ethoxymethyl-7-(1-methyl-1H-imidazol-2-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

REACTIONS

参与反应

3 条

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897597B2

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

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uspto-grants-2012_09 · 10.6084/m9.figshare.5104873.v1 · US08263594B2

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