A1BXJ
Summary
| Name: | ethyl 4-amino-8-cyanoquinoline-3-carboxylate |
| Formula: | C13 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 241.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | ethyl 4-amino-8-cyanoquinoline-3-carboxylate |
| OpenEye OEToolkits | 3.1.0.0 | ethyl 4-azanyl-8-cyano-quinoline-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OCC)c1cnc2c(cccc2c1N)C#N |
| InChI | InChI | 1.06 | InChI=1S/C13H11N3O2/c1-2-18-13(17)10-7-16-12-8(6-14)4-3-5-9(12)11(10)15/h3-5,7H,2H2,1H3,(H2,15,16) |
| InChIKey | InChI | 1.06 | QGBFHTFGHPLYKS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cnc2c(cccc2c1N)C#N |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1cnc2c(cccc2c1N)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)c1cnc2c(cccc2c1N)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)c1cnc2c(cccc2c1N)C#N |
