| CAS Number | 1314230-75-5 |
| Catalog Number | AG009BMW |
| Chemical Name | 4-Quinolone-3-Carboxamide Furan CB2 Agonist |
| IUPAC Name | N-(1-adamantyl)-6-(furan-2-yl)-8-methoxy-4-oxo-1-pentylquinoline-3-carboxamide |
| InChI | InChI=1S/C30H36N2O4/c1-3-4-5-8-32-18-24(29(34)31-30-15-19-10-20(16-30)12-21(11-19)17-30)28(33)23-13-22(25-7-6-9-36-25)14-26(35-2)27(23)32/h6-7,9,13-14,18-21H,3-5,8,10-12,15-17H2,1-2H3,(H,31,34) |
| InChI Key | NXZZNXUALWSJSD-UHFFFAOYSA-N |
| Molecular Formula | C30H36N2O4 |
| Molecular Weight | 488.6178 |
| SMILES | O=C(C1=CN(CCCCC)C2=C(C=C(C3=CC=CO3)C=C2OC)C1=O)N[C@@]45CC6C[C@H](C5)C[C@H](C4)C6 |
| Synonyms | CHEMBL1814462,
4-Quinolone-3-Carboxamide Furan CB2 Agonist,
1314230-75-5,
BDBM50350155,
ZINC72105556,
NXZZNXUALWSJSD-UHFFFAOYSA-N,
|
| Complexity | 843 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 488.268g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 488.628g/mol |
| Monoisotopic Mass | 488.268g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number