AJ4
Summary
| Name: | 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one |
| Formula: | C16 H12 F N O |
| Formal charge: | 0 |
| Formula weight: | 253.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 7-(2-fluorophenyl)-4-methyl-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc3ccccc3c1ccc2c(c1)NC(=O)C=C2C |
| InChI | InChI | 1.03 | InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | PPOQMSJVMJCEAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccccc3F |
| SMILES | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F |
