Diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
Basic information
- CAS
495374-79-3- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccccc3OC)C2)C1c1cc(OC)ccc1OC- InChIKey
VDBWIGYRHFRMBE-UHFFFAOYSA-N- Molecular formula
- C31H35NO8
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.23626707
Names & identifiers
- Preferred name
- Diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
- IUPAC
- diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
- English name
- diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
- Molecular formula
- C31H35NO8
- Molecular weight
- 549.6115
Names & synonyms
diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate495374-79-3ChemDiv1_009797Oprea1_475907AN-919/40736716HMS614N07AKOS001638976AKOS022001791diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylateSR-01000490265SR-01000490265-1diethyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Database identifiers
- CAS
495374-79-3- PubChem CID
- 3363239
- EC Number
- 135-139-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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