Cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
5716-40-5- Standard SMILES
CCOc1cc(C2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(c2ccc(OC)cc2)C3)cc(Br)c1O- InChIKey
WIYVQIUCFPXCLE-UHFFFAOYSA-N- Molecular formula
- C31H34BrNO6
- Average molar mass
- 596.5 g/mol
- Monoisotopic mass
- 595.15695
Names & identifiers
- Preferred name
- Cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
5716-40-5cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateST50649536cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_485385Oprea1_859235cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateDTXSID80386495STK378732AKOS003270760AKOS022065288cyclopentyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl- 5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
Database identifiers
- CAS
5716-40-5- PubChem CID
- 2864201
- DTXSID
DTXSID80386495
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 980
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