A1BGI
Summary
| Name: | N-(1-methyl-1H-pyrazol-4-yl)quinoline-5-carboxamide |
| Formula: | C14 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 252.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(1-methyl-1H-pyrazol-4-yl)quinoline-5-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(1-methylpyrazol-4-yl)quinoline-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cn(C)nc1)c1cccc2ncccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N4O/c1-18-9-10(8-16-18)17-14(19)12-4-2-6-13-11(12)5-3-7-15-13/h2-9H,1H3,(H,17,19) |
| InChIKey | InChI | 1.06 | RKNPJCYEHJEUDX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(NC(=O)c2cccc3ncccc23)cn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(NC(=O)c2cccc3ncccc23)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(cn1)NC(=O)c2cccc3c2cccn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(cn1)NC(=O)c2cccc3c2cccn3 |
