Basic information
- Standard SMILES
CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1- InChIKey
LJVFNUIAJSQJQW-UHFFFAOYSA-N- Molecular formula
- C22H25Cl2NO3
- Average molar mass
- 422.3 g/mol
Names & identifiers
- Preferred name
- Propan-2-yl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- propan-2-yl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Names & synonyms
propan-2-yl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateCBMicro_021093Oprea1_233793Oprea1_397665SCHEMBL7979577LJVFNUIAJSQJQW-UHFFFAOYSA-NCCG-8572STK372580AKOS000572924AKOS021984815BIM-0020821.P001ST50002349
Show more names
SR-01000403500SR-01000403500-1isopropyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateIsopropyl 4-(2,3-dichlorophenyl)-5-oxo-2,7,7-trimethyl-1,4,5,6,7,8-hexa-hydroquinoline-3-carboxylatemethylethyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroq uinoline-3-carboxylate
Database identifiers
- PubChem CID
- 2847332
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 738
Related reactions
2 records
Compound notes
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