A1BY7
Summary
| Name: | propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl}carbamate |
| Formula: | C19 H24 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 377.865 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl}carbamate |
| OpenEye OEToolkits | 3.1.0.0 | propan-2-yl ~{N}-[1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]piperidin-4-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)OC(=O)NC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C19H24ClN3O3/c1-12(2)26-19(25)22-14-5-8-23(9-6-14)11-13-10-16(20)15-4-3-7-21-17(15)18(13)24/h3-4,7,10,12,14,24H,5-6,8-9,11H2,1-2H3,(H,22,25) |
| InChIKey | InChI | 1.06 | CWIXCQOSULUGBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)NC1CCN(CC1)Cc2cc(Cl)c3cccnc3c2O |
| SMILES | CACTVS | 3.385 | CC(C)OC(=O)NC1CCN(CC1)Cc2cc(Cl)c3cccnc3c2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)OC(=O)NC1CCN(CC1)Cc2cc(c3cccnc3c2O)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)OC(=O)NC1CCN(CC1)Cc2cc(c3cccnc3c2O)Cl |
