A1BXG
Summary
| Name: | (5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline |
| Formula: | C14 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 223.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline |
| OpenEye OEToolkits | 3.1.0.0 | 8-methyl-5-(2-methyl-1~{H}-imidazol-4-yl)quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nc(c[NH]1)c1ccc(C)c2ncccc12 |
| InChI | InChI | 1.06 | InChI=1S/C14H13N3/c1-9-5-6-11(13-8-16-10(2)17-13)12-4-3-7-15-14(9)12/h3-8H,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.06 | CZFYCCZCOKYGFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]cc(n1)c2ccc(C)c3ncccc23 |
| SMILES | CACTVS | 3.385 | Cc1[nH]cc(n1)c2ccc(C)c3ncccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c2c1nccc2)c3c[nH]c(n3)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c2c1nccc2)c3c[nH]c(n3)C |
