AC1NA24I
[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate
Also Known As: Oprea1_315734|J3.295.812E|4-(Benzoyloxy(7-vinyl-1,4-ethanopiperidine-2-yl)methyl)-6-methoxyquinoline|[(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-(6-methoxyquinolin-4-yl)methyl] Benzoate|[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate|{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methyl benzoate|[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]benzoate
| Molecular Formula | C27H28N2O3 |
|---|---|
| Molecular Weight | 428.21 g/mol |
| LogP | 5.0379 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.21 |
| Monoisotopic Mass | 428.21 |
| Heavy Atoms | 32 |
| Complexity | 1130.2095 |
Chemical Identifiers
| CAS Number | 69758-70-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OC(=O)C5=CC=CC=C5 |
Product Overview
AC1NA24I (CAS 69758-70-9), with molecular formula C27H28N2O3 and molecular weight 428.21 g/mol. IUPAC: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] benzoate.
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