| SpectraBase Spectrum ID |
D4MBTZd3ckW |
| Name |
1-Cyclopropyl-7-(4-ethanoyl-3-methyl-piperazin-1-yl)-6-fluoranyl-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.175084424 u |
| Formula |
C21H24FN3O4 |
| InChI |
InChI=1S/C21H24FN3O4/c1-11-9-23(6-7-24(11)13(3)26)17-8-16-18(12(2)19(17)22)20(27)15(21(28)29)10-25(16)14-4-5-14/h8,10-11,14H,4-7,9H2,1-3H3,(H,28,29) |
| InChIKey |
XRCAJKZEUYYFLV-UHFFFAOYSA-N |
| Molecular Weight |
401.438 g/mol |
| SMILES |
C=1(C(C=2C(=C(F)C(=CC2N(C1)C1CC1)N1CC(C)N(CC1)C(=O)C)C)=O)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863159 |
