Butyl 4-(furan-2-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
6049-01-0- Standard SMILES
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccco1- InChIKey
HJEOGJWDUXEFOQ-UHFFFAOYSA-N- Molecular formula
- C25H27NO4
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.19400834
Names & identifiers
- Preferred name
- Butyl 4-(furan-2-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- butyl 4-(furan-2-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
6049-01-0butyl 4-(furan-2-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateBUTYL 4-(2-FURYL)-2-METHYL-5-OXO-7-PHENYL-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATEbutyl 4-(furan-2-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateCBMicro_042565SCHEMBL5338078DTXSID70389713HMS1610E15STK020723AKOS000581402AKOS021989971CCG-106553
Show more names
BIM-0042590.P001ST50709709AK-968/15361133SR-01000432662SR-01000432662-1butyl 4-(2-furyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatebutyl 4-(2-furyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pentahydroquinoline-3-carb oxylate
Database identifiers
- CAS
6049-01-0- PubChem CID
- 3138775
- DTXSID
DTXSID70389713
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 731
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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