HCID21297656

6-Methyl-1-(2-nitrophenyl)-1,2,3,4-tetrahydroquinoline

6-methyl-1-(2-nitrophenyl)-3,4-dihydro-2H-quinoline

C16H16N2O2268.31 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc2c(c1)CCCN2c1ccccc1[N+](=O)[O-]
InChIKey: QEXUAPRDXLQDNP-UHFFFAOYSA-N
分子式: C16H16N2O2
平均分子量: 268.31 g/mol
单同位素质量: 268.12117776

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 49.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 20
形式电荷: 0
复杂度: 355

ALIASES

名称与别名

共 4 条

SCHEMBL10621375QEXUAPRDXLQDNP-UHFFFAOYSA-N6-methyl-1-(2-nitrophenyl)-1,2,3,4 -tetrahydroquinoline6-methyl-1-(2-nitrophenyl)-1,2,3,4-tetrahydroquinoline

REACTIONS

参与反应

6 条

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04723007

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uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04723003

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uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04761412

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uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04764616

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1987_05 · 10.6084/m9.figshare.5104873.v1 · US04663453

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