HCID18994585

3-ethoxycarbonyl-6,7-difluoro-2-[N-cyclopropyl-N-(beta-ethoxycarbonylethyl)amino]quinoline

ethyl 2-[cyclopropyl-(3-ethoxy-3-oxopropyl)amino]-6,7-difluoroquinoline-3-carboxylate

C20H22F2N2O4392.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CCN(c1nc2cc(F)c(F)cc2cc1C(=O)OCC)C1CC1
InChIKey: YCQWZAZIHCPGOP-UHFFFAOYSA-N
分子式: C20H22F2N2O4
平均分子量: 392.4 g/mol
单同位素质量: 392.15476351

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 68.7 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 10
重原子: 28
形式电荷: 0
复杂度: 560

ALIASES

名称与别名

共 4 条

SCHEMBL9097586YCQWZAZIHCPGOP-UHFFFAOYSA-N3-ethoxycarbonyl-6,7-difluoro-2-[N-cyclopropyl-N-(b-ethoxycarbonylethyl)amino]quinoline3-ethoxycarbonyl-6,7-difluoro-2-[N-cyclopropyl-N-(beta-ethoxycarbonylethyl)amino]quinoline

REACTIONS

相关反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484921

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uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484921

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1995_08 · 10.6084/m9.figshare.5104873.v1 · US05442070

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uspto-grants-1995_08 · 10.6084/m9.figshare.5104873.v1 · US05442070

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