HCID11620055

4-(((4-(3-Chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylpiperidine-4-carboxamide

4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]-1-methylpiperidine-4-carboxamide

C24H28ClFN6O2487 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CCN(C)CC1
InChIKey: XRUQVQJWTQESAB-UHFFFAOYSA-N
分子式: C24H28ClFN6O2
平均分子量: 487 g/mol
单同位素质量: 486.19463

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 96.6 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 7
重原子: 34
形式电荷: 0
复杂度: 696

ALIASES

名称与别名

共 6 条

CHEMBL207130SCHEMBL4450924XRUQVQJWTQESAB-UHFFFAOYSA-NBDBM501838584-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)-1-methylpiperidine-4-carboxamide4-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-1-methylpiperidine-4-carboxamide

REACTIONS

参与反应

1 条

uspto-grants-2009_12 · 10.6084/m9.figshare.5104873.v1 · US07632840B2

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