HCID71208705

N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-(2-hydroxy-ethyl-amino)-nicotinamide

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(2-hydroxyethylamino)pyridine-3-carboxamide

C24H21ClN4O3448.9 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NCCO)nc1
InChIKey: FIJXVKOKYPXWFF-UHFFFAOYSA-N
分子式: C24H21ClN4O3
平均分子量: 448.9 g/mol
单同位素质量: 448.1302182

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 94.6 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 7
重原子: 32
形式电荷: 0
复杂度: 697

ALIASES

名称与别名

共 6 条

CHEMBL3679497SCHEMBL14575972FIJXVKOKYPXWFF-UHFFFAOYSA-NBDBM100517US8501732, I-77N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-(2-hydroxy-ethyl-amino)-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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