| CAS Number | 107884-23-1 |
| Catalog Number | AG008TRC(AGN-PC-0OXTHG) |
| Chemical Name | Methyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)quinoline-3-carboxylate |
| IUPAC Name | methyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate |
| InChI | InChI=1S/C18H20FN3O3/c1-25-18(24)13-10-22(11-2-3-11)15-9-16(21-6-4-20-5-7-21)14(19)8-12(15)17(13)23/h8-11,20H,2-7H2,1H3 |
| InChI Key | SQMAUTKQEUTUBD-UHFFFAOYSA-N |
| MDL Number | MFCD27578272 |
| Molecular Formula | C18H20FN3O3 |
| Molecular Weight | 345.3681 |
| SMILES | COC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)N1CCNCC1)F |
| Synonyms | 107884-23-1,
methyl 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)quinoline-3-carboxylate,
Ciprofloxacin Methyl Ester,
SCHEMBL8983611,
CHEMBL2323801,
ZINC95581564,
FT-0731230,
methyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate,
1-Cyclopropyl-4-oxo-6-fluoro-7-piperazino-1,4-dihydroquinoline-3-carboxylic acid methyl ester,
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, Methyl ester,
SQMAUTKQEUTUBD-UHFFFAOYSA-N,
methyl 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-1-yl)quinoline-3-carboxylate,
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| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.374g/mol |
| Monoisotopic Mass | 345.149g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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