Basic information
- CAS
883796-37-0- Standard SMILES
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2cccc(Cl)c2)o1- InChIKey
MIPQXBIRHIEEEJ-UHFFFAOYSA-N- Molecular formula
- C24H24ClNO4
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.1393859
Names & identifiers
- Preferred name
- Methyl 4-[5-(3-chlorophenyl)-2-furyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- methyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- English name
- Methyl 4-[5-(3-chlorophenyl)-2-furyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular weight
- 0
Names & synonyms
AKOS024326328METHYL 4-[5-(3-CHLOROPHENYL)-2-FURYL]-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
Database identifiers
- CAS
883796-37-0- PubChem CID
- 3693751
- EC Number
- 159-695-5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 799
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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