LZR
Summary
| Name: | 6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-(CYCLOPROPYLMETHYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]-7-METHOXYQUINAZOLIN-4(3H)-ONE |
| Formula: | C25 H26 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 446.498 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1H)-yl]-7-methoxyquinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.6.1 | 6-(1-cycloprop-2-enylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-methoxy-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C=CC5=C1CCN(C4=Nc3cc(OC)c(OCC2C=C2)cc3C(=O)N4)C5)CC6CC6 |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc2N=C(NC(=O)c2cc1OCC3C=C3)N4CCC5=C(C4)C=CN(CC6CC6)C5=O |
| SMILES | CACTVS | 3.352 | COc1cc2N=C(NC(=O)c2cc1OCC3C=C3)N4CCC5=C(C4)C=CN(CC6CC6)C5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6 |
| SMILES | OpenEye OEToolkits | 1.6.1 | COc1cc2c(cc1OCC3C=C3)C(=O)NC(=N2)N4CCC5=C(C4)C=CN(C5=O)CC6CC6 |
| InChI | InChI | 1.03 | InChI=1S/C25H26N4O4/c1-32-21-11-20-19(10-22(21)33-14-16-4-5-16)23(30)27-25(26-20)29-9-7-18-17(13-29)6-8-28(24(18)31)12-15-2-3-15/h4-6,8,10-11,15-16H,2-3,7,9,12-14H2,1H3,(H,26,27,30) |
| InChIKey | InChI | 1.03 | BVRCGDWCYYETOO-UHFFFAOYSA-N |
