| CAS Number | 914658-84-7 |
| Catalog Number | AG00IGPZ(AGN-PC-0WAYF6) |
| Chemical Name | 6-Fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]quinolin-4-ol |
| IUPAC Name | 6-fluoro-3-(4-methylpiperazine-1-carbonyl)-1H-quinolin-4-one |
| InChI | InChI=1S/C15H16FN3O2/c1-18-4-6-19(7-5-18)15(21)12-9-17-13-3-2-10(16)8-11(13)14(12)20/h2-3,8-9H,4-7H2,1H3,(H,17,20) |
| InChI Key | XAWZOASCZNCOTQ-UHFFFAOYSA-N |
| MDL Number | MFCD16639697 |
| Molecular Formula | C15H16FN3O2 |
| Molecular Weight | 289.3048 |
| SMILES | FC3(=CC2(=C(O)C(C(=O)N1(CCN(C)CC1))=CN=C2C=C3)) |
| Synonyms | 914658-84-7,
6-fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]quinolin-4-ol,
(6-Fluoro-4-hydroxyquinolin-3-yl)(4-methylpiperazin-1-yl)methanone,
CHEMBL322424,
HTS001385,
MFCD16639697,
ZINC21658135,
AKOS026674527,
BS-3122,
KS-0000235X,
PC200477,
6-fluoro-3-(4-methylpiperazine-1-carbonyl)quinolin-4-ol,
C15H16FN3O2,
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| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.31g/mol |
| Monoisotopic Mass | 289.123g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number