HCID15411481

1-(2-Hydroxyethyl)-6,8-difluoro-7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6,8-difluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

C18H16F2N4O4390.3 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cn(CCO)c2c(F)c(N3CCn4ccnc4C3)c(F)cc2c1=O
InChIKey: ORCRQECGJKZGEM-UHFFFAOYSA-N
分子式: C18H16F2N4O4
平均分子量: 390.3 g/mol
单同位素质量: 390.11396133

COMPUTED

结构计算性质

已同步

XLogP: 0.1
极性表面积: 98.9 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 4
重原子: 28
形式电荷: 0
复杂度: 678

ALIASES

名称与别名

共 3 条

SCHEMBL7017211ORCRQECGJKZGEM-UHFFFAOYSA-N1-(2-Hydroxyethyl)-6,8-difluoro-7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-7-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05519024

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uspto-grants-1999_03 · 10.6084/m9.figshare.5104873.v1 · US05889009

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uspto-grants-1997_12 · 10.6084/m9.figshare.5104873.v1 · US05703081

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