AC1NB8PK
methyl 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: AK-968/41017436|methyl 4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|methyl 4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|methyl 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C20H27N3O3 |
|---|---|
| Molecular Weight | 357.20523 g/mol |
| LogP | 2.98842 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.20523 |
| Monoisotopic Mass | 357.20523 |
| Heavy Atoms | 26 |
| Complexity | 842.4829 |
Chemical Identifiers
| CAS Number | 492425-43-1 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C |
Product Overview
AC1NB8PK (CAS 492425-43-1), with molecular formula C20H27N3O3 and molecular weight 357.20523 g/mol. IUPAC: methyl 4-(1-ethyl-3-methylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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