2-Isopropoxyethyl 4-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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Basic information
- CAS
494193-68-9- Standard SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOC(C)C)C3c2cc(Br)c(OC)c(OC)c2)cc1OC- InChIKey
YLOAVMLQKROHKK-UHFFFAOYSA-N- Molecular formula
- C32H38BrNO8
- Average molar mass
- 644.5 g/mol
- Monoisotopic mass
- 643.17808
Names & identifiers
- Preferred name
- 2-Isopropoxyethyl 4-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- 2-propan-2-yloxyethyl 4-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- English name
- 2-isopropoxyethyl 4-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C32H38BrNO8
- Molecular weight
- 644.55002
Names & synonyms
2-isopropoxyethyl 4-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate2-propan-2-yloxyethyl 4-(3-bromo-4,5-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateAG-690/40752962
Database identifiers
- CAS
494193-68-9- PubChem CID
- 3139483
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
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Compound notes
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