AC1MEZQ1
2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: Oprea1_524160|Oprea1_824473|BAS 01051894|AG-690/12892822|SR-01000422369-1|2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate|isobutyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|2-METHYLPROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE|2-METHYLPROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-OXO-7-PHENYL-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE|2-methylpropyl 4-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-methyl-5-oxo-7-phenyl-1, 4,6,7,8-pentahydroquinoline-3-carboxylate|isobutyl 4-(benzo[d][1,3]dioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H29NO5 |
|---|---|
| Molecular Weight | 459.20456 g/mol |
| LogP | 4.9761 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.20456 |
| Monoisotopic Mass | 459.20456 |
| Heavy Atoms | 34 |
| Complexity | 1194.5321 |
Chemical Identifiers
| CAS Number | 329072-22-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OCC(C)C |
Product Overview
AC1MEZQ1 (CAS 329072-22-2), with molecular formula C28H29NO5 and molecular weight 459.20456 g/mol. IUPAC: 2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.