ILL
Summary
| Name: | 4-(aminomethyl)-6-chloroquinolin-2(1H)-one |
| Formula: | C10 H9 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 208.644 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(aminomethyl)-6-chloroquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 4-(aminomethyl)-6-chloranyl-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccc1c(C(=CC(=O)N1)CN)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN2O/c11-7-1-2-9-8(4-7)6(5-12)3-10(14)13-9/h1-4H,5,12H2,(H,13,14) |
| InChIKey | InChI | 1.03 | MBZOVDFWTCQUTF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC1=CC(=O)Nc2ccc(Cl)cc12 |
| SMILES | CACTVS | 3.385 | NCC1=CC(=O)Nc2ccc(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=CC(=O)N2)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=CC(=O)N2)CN |
