U5Q
Summary
| Name: | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid |
| Formula: | C17 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 279.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 5-(6-methylquinolin-5-yl)-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccc1O)c1c(C)ccc2ncccc12 |
| InChI | InChI | 1.06 | InChI=1S/C17H13NO3/c1-10-4-6-14-12(3-2-8-18-14)16(10)11-5-7-15(19)13(9-11)17(20)21/h2-9,19H,1H3,(H,20,21) |
| InChIKey | InChI | 1.06 | BPSYEVVQJDPPAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2ncccc2c1c3ccc(O)c(c3)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc2ncccc2c1c3ccc(O)c(c3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1c3ccc(c(c3)C(=O)O)O)cccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1c3ccc(c(c3)C(=O)O)O)cccn2 |
