3-Quinolinecarboxamide,4-hydroxy-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]- | 145970-12-3
3-Quinolinecarboxamide,4-hydroxy-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-
145970-12-3
C18H21N3O2
311.37824
名称和标识符
InChIKey |
ZPEDRMCLQWINAG-UHFFFAOYSA-N |
Inchi |
InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23) |
SMILES |
C1C=CC2=C(C(C(NC3CC4CCC(N4C)C3)=O)=CN=C2C=1)O |
别名信息
- 英文别名 -
- 3-Quinolinecarboxamide,4-hydroxy-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-
- N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1H-quinoline-3-carboxamide
- 3-Quinolinecarboxamide, 4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-, endo-
- endo-Maohqc
- N-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)-4-hydroxy-3-quinolinecarboxamide
- N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
- 145970-12-3
- BDBM50042065
- N-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-oxo-1,4-dihydroquinoline-3-carboximidic acid
- DTXSID60932737
- SCHEMBL9199760
- CHEMBL109955
- PD160233
- 4-Hydroxy-quinoline-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
- N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-4-hydroxy-3-quinolinecarboxamide
物化性质
实验特性
PSA |
65.46 |
折射率 |
1.645 |
沸点 |
516.1°C at 760 mmHg |
闪点 |
265.9°C |
密度 |
1.29 |
计算特性
精确分子量 |
311.16353 |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
311.163 |
重原子数量 |
23 |
复杂度 |
530 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
2 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
2.3 |
拓扑分子极性表面积 |
61.4Ų |
3-Quinolinecarboxamide,4-hydroxy-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-推荐生产厂家