4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-quinoxalin-2-one
Basic information
- CAS
317822-24-5- Standard SMILES
CC1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccccc1- InChIKey
KCUGNNIYQPFGOV-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N2O2
- Average molar mass
- 425.3 g/mol
Names & identifiers
- Preferred name
- 4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-quinoxalin-2-one
- IUPAC
- 4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-quinoxalin-2-one
- English name
- 4-Benzoyl-1-(2,4-dichlorobenzyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone
- Molecular formula
- C23H18Cl2N2O2
- Molecular weight
- 425.31
Names & synonyms
317822-24-54-benzoyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-quinoxalin-2-one4-benzoyl-1-(2,4-dichlorobenzyl)-3-methyl-3,4-dihydro-2(1H)-quinoxalinone4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoxalin-2-oneOprea1_708549AKOS0050852422J-564S2(1H)-Quinoxalinone, 4-benzoyl-1-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-3-methyl-
Database identifiers
- CAS
317822-24-5
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Boiling point
- 637.4 · 637.4±55.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 0.65 · 0.65±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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