2N9
Summary
| Name: | ethyl 4-aminoquinoline-3-carboxylate |
| Formula: | C12 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 216.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 4-aminoquinoline-3-carboxylate |
| OpenEye OEToolkits | 1.7.6 | ethyl 4-azanylquinoline-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)c1c(c2ccccc2nc1)N |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2O2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3,(H2,13,14) |
| InChIKey | InChI | 1.03 | IEJDBXDYSPBDTO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cnc2ccccc2c1N |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1cnc2ccccc2c1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1cnc2ccccc2c1N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1cnc2ccccc2c1N |
