A1AW5
Summary
| Name: | 6-bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one |
| Formula: | C10 H10 Br N O |
| Formal charge: | 0 |
| Formula weight: | 240.096 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-1-methyl-3,4-dihydroquinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ccc2c(CCC(=O)N2C)c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H10BrNO/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3 |
| InChIKey | InChI | 1.06 | NJZZUBLIVYKUJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)CCc2cc(Br)ccc12 |
| SMILES | CACTVS | 3.385 | CN1C(=O)CCc2cc(Br)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2CCC1=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccc(cc2CCC1=O)Br |
