HCID53445376

N-[4-(3-chloro-4-fluoroanilino)-7-(3-oxolanyloxy)-6-quinazolinyl]-4-(dimethylamino)-2-butenamide

N-[4-(3-chloro-4-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide

C24H25ClFN5O3485.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1
InChIKey: ULXXDDBFHOBEHA-UHFFFAOYSA-N
分子式: C24H25ClFN5O3
平均分子量: 485.9 g/mol
单同位素质量: 485.1629955

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 88.6 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 8
重原子: 34
形式电荷: 0
复杂度: 702

ALIASES

名称与别名

共 26 条

Afatinib Impurity 3C24H25ClFN5O3(E/Z)-BIBW 2992(S)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide1680184-59-1S1011SCHEMBL231073orb1941011CHEMBL2132902SCHEMBL29733662HMS3244L04HMS3244L08HMS3244L12HMS3295G11HMS3651A03(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3R)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamideFSC18459N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-ButenamideAKOS026750415PB28439

REACTIONS