A1CQI
Summary
| Name: | 7-chloroquinolin-2(1H)-one |
| Formula: | C9 H6 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 179.603 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 7-chloroquinolin-2(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 7-chloranyl-1~{H}-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc2C=CC(=O)Nc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H6ClNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12) |
| InChIKey | InChI | 1.06 | SDRJFDTZVULXDE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2C=CC(=O)Nc2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2C=CC(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)NC(=O)C=C2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)NC(=O)C=C2 |
