Diethyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
Basic information
- CAS
495374-89-5- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccc(OC)cc3)C2)C1c1cccc(OC)c1- InChIKey
KHUZOQPDPNLGIO-UHFFFAOYSA-N- Molecular formula
- C30H33NO7
- Average molar mass
- 519.6 g/mol
- Monoisotopic mass
- 519.22570239
Names & identifiers
- Preferred name
- Diethyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
- IUPAC
- diethyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
- English name
- diethyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
- Molecular formula
- C30H33NO7
- Molecular weight
- 519.58552
Names & synonyms
diethyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylateChemDiv1_009673Oprea1_367718AN-919/40736751HMS614H15AKOS001487932AKOS022001904diethyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylateSR-01000490297SR-01000490297-1diethyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Database identifiers
- CAS
495374-89-5- PubChem CID
- 3846277
- EC Number
- 135-133-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 962
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