QIA
Summary
| Name: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid |
| Formula: | C19 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 330.34 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H14N4O2/c24-19(25)13-6-7-14-15-10-20-11-22-17(15)18(23-16(14)8-13)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,23)(H,24,25) |
| InChIKey | InChI | 1.06 | HEVVNKYNJCSHFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CNc2c3c(cncn3)c4ccc(cc4n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CNc2c3c(cncn3)c4ccc(cc4n2)C(=O)O |
