P40
Summary
| Name: | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide |
| Synonyms: | N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide |
| Formula: | C25 H29 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 431.53 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide |
| OpenEye OEToolkits | 1.5.0 | N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1CC1)c2cc(c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1c2ccc3nc(NCCN4CCOCC4)ncc3c2)C(=O)NC5CC5 |
| SMILES | CACTVS | 3.341 | Cc1ccc(cc1c2ccc3nc(NCCN4CCOCC4)ncc3c2)C(=O)NC5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5 |
| InChI | InChI | 1.03 | InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29) |
| InChIKey | InChI | 1.03 | MNEXDVSJIUQQRH-UHFFFAOYSA-N |
