![7-Chloro-4-[1-methyl-4-[N-ethyl-N-benzylamino]butylamino]quinoline](/api/spectrum/IoD0ybDFpRX/structure.png?h=300&w=458 "7-Chloro-4-[1-methyl-4-[N-ethyl-N-benzylamino]butylamino]quinoline")
| SpectraBase Compound ID | 41ugkgwmahU |
|---|---|
| InChI | InChI=1S/C23H28ClN3/c1-3-27(17-19-9-5-4-6-10-19)15-7-8-18(2)26-22-13-14-25-23-16-20(24)11-12-21(22)23/h4-6,9-14,16,18H,3,7-8,15,17H2,1-2H3,(H,25,26) |
| InChIKey | HPNGOPXTVOTOML-UHFFFAOYSA-N |
| Mol Weight | 381.95 g/mol |
| Molecular Formula | C23H28ClN3 |
| Exact Mass | 381.197176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IoD0ybDFpRX |
|---|---|
| Name | 7-Chloro-4-[1-methyl-4-[N-ethyl-N-benzylamino]butylamino]quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.197175614 u |
| Formula | C23H28ClN3 |
| InChI | InChI=1S/C23H28ClN3/c1-3-27(17-19-9-5-4-6-10-19)15-7-8-18(2)26-22-13-14-25-23-16-20(24)11-12-21(22)23/h4-6,9-14,16,18H,3,7-8,15,17H2,1-2H3,(H,25,26) |
| InChIKey | HPNGOPXTVOTOML-UHFFFAOYSA-N |
| Molecular Weight | 381.951 g/mol |
| SMILES | C1=C(C=C2C(=C1)C(=CC=N2)NC(CCCN(CC1=CC=CC=C1)CC)C)Cl |