HCID13772811

7-(3-Amino-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3-quinolinecarboxylic acid

7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-(1-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid

C18H19F2N3O3363.4 g/mol

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IDENTITY

结构与身份

标准 SMILES: CC1(n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c32)CC1
InChIKey: DJBSZWOETUKXOP-UHFFFAOYSA-N
分子式: C18H19F2N3O3
平均分子量: 363.4 g/mol
单同位素质量: 363.1394478

COMPUTED

结构计算性质

已同步

XLogP: -0.8
极性表面积: 86.9 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 666

ALIASES

名称与别名

共 5 条

CHEMBL142520SCHEMBL10677332DJBSZWOETUKXOP-UHFFFAOYSA-N7-(3-amino-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3-quinolinecarboxylic acid7-(3-amino-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3quinolinecarboxylic acid

REACTIONS