| CAS Number | 1797982-51-4 |
| Catalog Number | AG01DX34(AGN-PC-0WOZFT) |
| Chemical Name | 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-ethoxy-8-methoxy-4-oxo-3-quinolinecarboxylic Acid |
| IUPAC Name | 1-cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C16H16FNO5/c1-3-23-14-11(17)6-9-12(15(14)22-2)18(8-4-5-8)7-10(13(9)19)16(20)21/h6-8H,3-5H2,1-2H3,(H,20,21) |
| InChI Key | QKEQQXWDPPEATN-UHFFFAOYSA-N |
| Molecular Formula | C16H16FNO5 |
| Molecular Weight | 321.3003 |
| SMILES | CCOc1c(F)cc2C(=O)C(=CN(C3CC3)c2c1OC)C(=O)O |
| Synonyms | 1797982-51-4,
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-ethoxy-8-methoxy-4-oxo-3-quinolinecarboxylic Acid,
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid,
QKEQQXWDPPEATN-UHFFFAOYSA-N,
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid,
|
| Complexity | 533 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.101251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.3g/mol |
| Monoisotopic Mass | 321.101251g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number