QAX
Summary
| Name: | 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol |
| Formula: | C17 H23 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 317.383 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol |
| OpenEye OEToolkits | 2.0.7 | 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ncnc2cc(OCCCN3CCCCC3)c(OC)cc21 |
| InChI | InChI | 1.03 | InChI=1S/C17H23N3O3/c1-22-15-10-13-14(18-12-19-17(13)21)11-16(15)23-9-5-8-20-6-3-2-4-7-20/h10-12H,2-9H2,1H3,(H,18,19,21) |
| InChIKey | InChI | 1.03 | DMNQXENATQIQBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(O)ncnc2cc1OCCCN3CCCCC3 |
| SMILES | CACTVS | 3.385 | COc1cc2c(O)ncnc2cc1OCCCN3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OCCCN3CCCCC3)ncnc2O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2c(cc1OCCCN3CCCCC3)ncnc2O |
