3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-methyl-3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo- | 144633-97-6
3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-methyl-3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-
144633-97-6
C21H26FN3O4
403.44724
名称和标识符
InChIKey |
WVNPJTBSXXFWIJ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C21H26FN3O4/c1-21(10-23-2)6-7-24(11-21)17-15(22)8-13-16(19(17)29-3)25(12-4-5-12)9-14(18(13)26)20(27)28/h8-9,12,23H,4-7,10-11H2,1-3H3,(H,27,28) |
SMILES |
CNCC1(CCN(C2C(F)=CC3=C(N(C4CC4)C=C(C3=O)C(=O)O)C=2OC)C1)C |
别名信息
- 英文别名 -
- 3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-methyl-3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-
- 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
- 3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-methyl-3-[(methylamino)methyl]-1-pyrrolidinyl]-4-
- 1-Cyclopropyl-6-fluoro-8-methoxy-7-{3-methyl-3-[(methylamino)methyl]-1-pyrrolidinyl}-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
- 144633-97-6
- CHEMBL141666
- DTXSID80932370
- 1-Cyclopropyl-6-fluoro-1, 4-dihydro-8-methoxy-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid
- 1-Cyclopropyl-6-fluoro-8-methoxy-7-{3-methyl-3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-
物化性质
实验特性
计算特性
精确分子量 |
403.19088 |
氢键供体数量 |
2 |
氢键受体数量 |
8 |
可旋转化学键数量 |
6 |
同位素质量 |
403.19073448g/mol |
重原子数量 |
29 |
复杂度 |
712 |
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 |
1 |
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) |
0.8 |
拓扑分子极性表面积 |
82.1Ų |
3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-methyl-3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-推荐生产厂家