![3-Phenyl-5-[4-[7-dichloro-4-quinolyl]amino]butylhydantoin](/api/spectrum/9l7LBR4t7BG/structure.png?h=300&w=458 "3-Phenyl-5-[4-[7-dichloro-4-quinolyl]amino]butylhydantoin")
| SpectraBase Compound ID | Do9SVEitDOr |
|---|---|
| InChI | InChI=1S/C22H21ClN4O2/c23-15-9-10-17-18(11-13-25-20(17)14-15)24-12-5-4-8-19-21(28)27(22(29)26-19)16-6-2-1-3-7-16/h1-3,6-7,9-11,13-14,19H,4-5,8,12H2,(H,24,25)(H,26,29) |
| InChIKey | BTCFKNQDFGXIKE-UHFFFAOYSA-N |
| Mol Weight | 408.89 g/mol |
| Molecular Formula | C22H21ClN4O2 |
| Exact Mass | 408.135304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9l7LBR4t7BG |
|---|---|
| Name | 3-Phenyl-5-[4-[7-dichloro-4-quinolyl]amino]butylhydantoin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.135303630 u |
| Formula | C22H21ClN4O2 |
| InChI | InChI=1S/C22H21ClN4O2/c23-15-9-10-17-18(11-13-25-20(17)14-15)24-12-5-4-8-19-21(28)27(22(29)26-19)16-6-2-1-3-7-16/h1-3,6-7,9-11,13-14,19H,4-5,8,12H2,(H,24,25)(H,26,29) |
| InChIKey | BTCFKNQDFGXIKE-UHFFFAOYSA-N |
| Molecular Weight | 408.889 g/mol |
| SMILES | C1=2C(=CC=C(C2)Cl)C(=CC=N1)NCCCCC1NC(=O)N(C1=O)C1=CC=CC=C1 |