HQ2
Summary
| Name: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid |
| Formula: | C14 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 273.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.2 | 8-oxidanyl-3-piperazin-1-yl-quinoline-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2c1cc(cnc1c(O)cc2)N3CCNCC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(O)c2ncc(cc12)N3CCNCC3 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(O)c2ncc(cc12)N3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3O3/c18-12-2-1-10(14(19)20)11-7-9(8-16-13(11)12)17-5-3-15-4-6-17/h1-2,7-8,15,18H,3-6H2,(H,19,20) |
| InChIKey | InChI | 1.03 | TUTIPJBLHAOGRW-UHFFFAOYSA-N |
