K7D
Summary
| Name: | 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid |
| Formula: | C16 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 4-oxidanylidene-8-phenyl-1~{H}-quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3c(c1cccc2c1NC=C(C(=O)O)C2=O)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H11NO3/c18-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)17-9-13(15)16(19)20/h1-9H,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | IYZQCKZKSCOMCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CNc2c(cccc2c3ccccc3)C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CNc2c(cccc2c3ccccc3)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O |
