1PQ
Summary
| Name: | (4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine |
| Synonyms: | primaquine |
| Formula: | C15 H21 N3 O |
| Formal charge: | 0 |
| Formula weight: | 259.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (4S)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | INDBQLZJXZLFIT-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(N[C@@H](C)CCCN)c2ncccc2c1 |
| SMILES | CACTVS | 3.370 | COc1cc(N[CH](C)CCCN)c2ncccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CCCN)Nc1cc(cc2c1nccc2)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CCCN)Nc1cc(cc2c1nccc2)OC |
