SpectraBase Spectrum ID |
4DIG3K583Gj |
Name |
2-(4-Isobutylphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
417.241627248 u |
Formula |
C26H31N3O2 |
InChI |
InChI=1S/C26H31N3O2/c1-19(2)17-20-7-9-21(10-8-20)25-18-23(22-5-3-4-6-24(22)28-25)26(30)27-11-12-29-13-15-31-16-14-29/h3-10,18-19H,11-17H2,1-2H3,(H,27,30) |
InChIKey |
NOVWCNPYPYVSIR-UHFFFAOYSA-N |
Molecular Weight |
417.553 g/mol |
SMILES |
N(C(C=1C=C(C2=CC=C(C=C2)CC(C)C)N=C2C1C=CC=C2)=O)CCN1CCOCC1 |