5HL
Summary
| Name: | 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one |
| Formula: | C15 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 242.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 3-[(cyclopropylamino)methyl]-8-ethyl-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc2C=C(CNC1CC1)C(Nc2c(CC)c3)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H18N2O/c1-2-10-4-3-5-11-8-12(9-16-13-6-7-13)15(18)17-14(10)11/h3-5,8,13,16H,2,6-7,9H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | NRYCDZCJUHABBD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc2C=C(CNC3CC3)C(=O)Nc12 |
| SMILES | CACTVS | 3.385 | CCc1cccc2C=C(CNC3CC3)C(=O)Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1cccc2c1NC(=O)C(=C2)CNC3CC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1cccc2c1NC(=O)C(=C2)CNC3CC3 |
