HCID71208526

N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-dimethylamino-nicotinamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide

C24H21ClN4O2432.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1
InChIKey: IJABPBRMXIKKJQ-UHFFFAOYSA-N
分子式: C24H21ClN4O2
平均分子量: 432.9 g/mol
单同位素质量: 432.1353036

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 65.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 31
形式电荷: 0
复杂度: 691

ALIASES

名称与别名

共 6 条

CHEMBL3679499SCHEMBL14575739IJABPBRMXIKKJQ-UHFFFAOYSA-NBDBM100519US8501732, I-79N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-dimethylamino-nicotinamide

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08501732B2

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