AC1LCRNN
cyclohexyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_117285|Oprea1_186620|NCGC00032402-02|BAS 01404548|SR-01000431654-1|cyclohexyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|2,7,7-Trimethyl-4-(5-methyl-furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid cyclohexyl ester|cyclohexyl 2,7,7-trimethyl-4-(5-methyl(2-furyl))-5-oxo-1,4,6,7,8-pentahydroqui noline-3-carboxylate|cyclohexyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C24H31NO4 |
|---|---|
| Molecular Weight | 397.2253 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.2253 |
| Monoisotopic Mass | 397.2253 |
| Heavy Atoms | 29 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 299451-22-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C |
| InChIKey | BXDZOFTWWWREQO-UHFFFAOYSA-N |
Product Overview
AC1LCRNN (CAS 299451-22-2), with molecular formula C24H31NO4 and molecular weight 397.2253 g/mol. IUPAC: cyclohexyl 2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.