AC1MLZX4
methyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: AK-968/41024476|methyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|methyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate|methyl 4-(3-((4-bromo-2-chlorophenoxy)methyl)-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|methyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C26H25BrClNO5 |
|---|---|
| Molecular Weight | 545.0605 g/mol |
| LogP | 5.831 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.0605 |
| Monoisotopic Mass | 545.0605 |
| Heavy Atoms | 34 |
| Complexity | 1219.6669 |
Chemical Identifiers
| CAS Number | 445236-91-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)Br)Cl)C(=O)OC |
Product Overview
AC1MLZX4 (CAS 445236-91-9), with molecular formula C26H25BrClNO5 and molecular weight 545.0605 g/mol. IUPAC: methyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.