AC1NQ40O
ethyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: AK-968/41024471|ethyl 4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|ethyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|ethyl 4-(3-((3-bromophenoxy)methyl)-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|ethyl 4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C29H32BrNO5 |
|---|---|
| Molecular Weight | 553.14636 g/mol |
| LogP | 6.2038 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.14636 |
| Monoisotopic Mass | 553.14636 |
| Heavy Atoms | 36 |
| Complexity | 1260.0609 |
Chemical Identifiers
| CAS Number | 445236-87-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C)C |
Product Overview
AC1NQ40O (CAS 445236-87-3), with molecular formula C29H32BrNO5 and molecular weight 553.14636 g/mol. IUPAC: ethyl 4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.