![2-Hexahydroazepinone, 3-[(7-chloroquinolin-4-yl)amino]-](/api/spectrum/HERGsIOULPU/structure.png?h=300&w=458 "2-Hexahydroazepinone, 3-[(7-chloroquinolin-4-yl)amino]-")
| SpectraBase Compound ID | AlVjhgFDeYC |
|---|---|
| InChI | InChI=1S/C15H16ClN3O/c16-10-4-5-11-12(6-8-17-14(11)9-10)19-13-3-1-2-7-18-15(13)20/h4-6,8-9,13H,1-3,7H2,(H,17,19)(H,18,20) |
| InChIKey | HDDCDCFIIDZVRS-UHFFFAOYSA-N |
| Mol Weight | 289.77 g/mol |
| Molecular Formula | C15H16ClN3O |
| Exact Mass | 289.09819 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HERGsIOULPU |
|---|---|
| Name | 2-Hexahydroazepinone, 3-[(7-chloroquinolin-4-yl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.098189846 u |
| Formula | C15H16ClN3O |
| InChI | InChI=1S/C15H16ClN3O/c16-10-4-5-11-12(6-8-17-14(11)9-10)19-13-3-1-2-7-18-15(13)20/h4-6,8-9,13H,1-3,7H2,(H,17,19)(H,18,20) |
| InChIKey | HDDCDCFIIDZVRS-UHFFFAOYSA-N |
| SMILES | C1(C(NCCCC1)=O)NC1=C2C(C=C(Cl)C=C2)=NC=C1 |