3-Quinolinecarboxylicacid,1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-,[R-(R*,R*)]- (9CI) | 143382-95-0
3-Quinolinecarboxylicacid,1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-,[R-(R*,R*)]- (9CI)
143382-95-0
C22H28N3O4F
417.47382
名称和标识符
InChIKey |
XJGDTVIRKPYDHZ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C22H28FN3O4/c1-4-24-12(2)13-7-8-25(10-13)19-17(23)9-15-18(21(19)30-3)26(14-5-6-14)11-16(20(15)27)22(28)29/h9,11-14,24H,4-8,10H2,1-3H3,(H,28,29) |
SMILES |
CCNC(C1CCN(C2=C(F)C=C3C(C(=CN(C4CC4)C3=C2OC)C(=O)O)=O)C1)C |
别名信息
- 英文别名 -
- 3-Quinolinecarboxylicacid,1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-,[R-(R*,R*)]- (9CI)
- 3-Quinolinecarboxylicacid,1-cyclopropyl-7-[3-[1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-,[R-(
- 1-Cyclopropyl-7-{(3R)-3-[(1R)-1-(ethylamino)ethyl]-1-pyrrolidinyl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
- 3-quinolinecarboxylic acid, 1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-
- SCHEMBL8329382
- DTXSID30931853
- 143382-95-0
- 1-Cyclopropyl-7-{3-[1-(ethylamino)ethyl]pyrrolidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- CHEMBL2110324
- (R-(R,R))-1-Cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
- 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-8-methoxy-4-oxo-, (R-(R*,R*))-
物化性质
实验特性
计算特性
精确分子量 |
417.20654 |
氢键供体数量 |
2 |
氢键受体数量 |
8 |
可旋转化学键数量 |
7 |
同位素质量 |
417.20638455g/mol |
重原子数量 |
30 |
复杂度 |
713 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
不确定原子立构中心数量 |
0 |
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) |
1.2 |
拓扑分子极性表面积 |
82.1Ų |