uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524738B2
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2ccc(=O)n(CCN3CCC(N)CC3)c2c1
- InChIKey
- YFMUXOZWVQGQFI-UHFFFAOYSA-N
- 分子式
- C17H23N3O2
- 平均分子量
- 301.4 g/mol
- 单同位素质量
- 301.17902698
COMPUTED
结构计算性质
- XLogP
- 1.1
- 极性表面积
- 58.8 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 418
ALIASES
名称与别名
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2(1H)-one1-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxyquinolin-2(1H)-one917341-18-5SCHEMBL706949YFMUXOZWVQGQFI-UHFFFAOYSA-NDB-2911971-[2-(4-Amino-piperidin-1-yl)-ethyl]-7-methoxy-1H-quinolin-2-one1-[2-(4-Amino-1-piperidinyl)ethyl]-7-(methyloxy)-2(1H)-quinolinone
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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