Basic information
- CAS
6764-98-3- Standard SMILES
CCOC(=O)C1=C(C)NC2=CC(C)C(C(=O)OC)C(=O)C2C1c1ccc(C)o1- InChIKey
ZHJBCYDJLLNDLE-UHFFFAOYSA-N- Molecular formula
- C21H25NO6
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.16818752
Names & identifiers
- Preferred name
- 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate
- IUPAC
- 3-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate
Names & synonyms
6764-98-33-O-ethyl 6-O-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylateDTXSID904128303-Ethyl 6-methyl 2,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,4a,5,6,7-hexahydroquinoline-3,6-dicarboxylate
Database identifiers
- CAS
6764-98-3- PubChem CID
- 5244502
- DTXSID
DTXSID90412830
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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