4MQ
Summary
| Name: | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE |
| Formula: | C14 H18 N4 |
| Formal charge: | 0 |
| Formula weight: | 242.32 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methyl-1,4-diazepan-1-yl)quinazoline |
| OpenEye OEToolkits | 1.7.2 | 4-(4-methyl-1,4-diazepan-1-yl)quinazoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c3c(c(nc1)N2CCCN(C)CC2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C14H18N4/c1-17-7-4-8-18(10-9-17)14-12-5-2-3-6-13(12)15-11-16-14/h2-3,5-6,11H,4,7-10H2,1H3 |
| InChIKey | InChI | 1.03 | BZBWHBGXCGIIRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1CCCN(CC1)c2ncnc3ccccc23 |
| SMILES | CACTVS | 3.370 | CN1CCCN(CC1)c2ncnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CN1CCCN(CC1)c2c3ccccc3ncn2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CN1CCCN(CC1)c2c3ccccc3ncn2 |
