| SpectraBase Spectrum ID |
7WfKZ0LGia0 |
| Name |
3-Amino-1-cyclopropyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-quinolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.169939474 u |
| Formula |
C17H21FN4O |
| InChI |
InChI=1S/C17H21FN4O/c1-20-4-6-21(7-5-20)16-9-15-12(8-13(16)18)17(23)14(19)10-22(15)11-2-3-11/h8-11H,2-7,19H2,1H3 |
| InChIKey |
DVBXDXVIJCMFSK-UHFFFAOYSA-N |
| Molecular Weight |
316.380 g/mol |
| SMILES |
C1=2N(C=C(C(C2C=C(C(=C1)N1CCN(CC1)C)F)=O)N)C1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950404 |
