M48
概要
| 表記: | 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine |
| 組成式: | C19 H20 F N3 |
| 電荷: | 0 |
| 化学式量: | 309.381 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 7-(2-{[2-(3-fluorophenyl)ethyl]amino}ethyl)quinolin-2-amine |
| OpenEye OEToolkits | 1.9.2 | 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCNCCc2cc3nc(ccc3cc2)N |
| InChI | InChI | 1.03 | InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23) |
| InChIKey | InChI | 1.03 | UAVGQDSBRIPETE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N |
