Basic information
- Standard SMILES
CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1- InChIKey
SVNQDNDWZNYOCI-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2NO3
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 393.0898489
Names & identifiers
- Preferred name
- Propan-2-yl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- propan-2-yl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
propan-2-yl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateCBMicro_020592Oprea1_314198Oprea1_505625SCHEMBL7981102SVNQDNDWZNYOCI-UHFFFAOYSA-NCCG-8408STK407188AKOS000652882AKOS021984796BIM-0020730.P001SR-01000403479
Show more names
SR-01000403479-1isopropyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateIsopropyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 2847040
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 668
Related reactions
2 records
Compound notes
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