4JS
Summary
| Name: | N-(quinolin-3-yl)propanamide |
| Synonyms: | N-(quinolin-3-yl)prop-2-enamide, bound form |
| Formula: | C12 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 200.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(quinolin-3-yl)propanamide |
| OpenEye OEToolkits | 1.9.2 | N-quinolin-3-ylpropanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c2ccccc2cc(c1)NC(CC)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | MISHSHICMVHYDE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cnc2ccccc2c1 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cnc2ccccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(=O)Nc1cc2ccccc2nc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(=O)Nc1cc2ccccc2nc1 |
