A1D99
Summary
| Name: | 4-methyl-3-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol |
| Formula: | C21 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 327.379 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-methyl-3-[(7-pyridin-2-ylquinolin-4-yl)amino]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H17N3O/c1-14-5-7-16(25)13-20(14)24-19-9-11-23-21-12-15(6-8-17(19)21)18-4-2-3-10-22-18/h2-13,25H,1H3,(H,23,24) |
| InChIKey | InChI | 1.06 | BKDBTNDUTIFYHL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4ccccn4 |
| SMILES | CACTVS | 3.385 | Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4ccccn4)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4ccccn4)O |
