CBMicro_047511
benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: CBMicro_047511|ChemDiv1_006220|MixCom6_002455|Oprea1_070735|3-Quinuclidinol hydrochloride|HMS604K16|BIM-0047562.P001|SR-01000455228-1|5-AMINO-1H-BENZOIMIDAZOLE-2-CARBOXYLICACIDHCL|benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate|phenylmethyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pen tahydroquinoline-3-carboxylate
| Molecular Formula | C30H26N2O6 |
|---|---|
| Molecular Weight | 510.17908 g/mol |
| LogP | 5.4054 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.17908 |
| Monoisotopic Mass | 510.17908 |
| Heavy Atoms | 38 |
| Complexity | 1477.0925 |
Chemical Identifiers
| CAS Number | 297159-40-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5 |
Product Overview
CBMicro_047511 (CAS 297159-40-1), with molecular formula C30H26N2O6 and molecular weight 510.17908 g/mol. IUPAC: benzyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.