Basic information
- CAS
381701-04-8- Standard SMILES
CCCc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl- InChIKey
ROAWTVMPBDXHRS-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N2O
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.0483185
Names & identifiers
- Preferred name
- 3-(2,6-Dichlorophenyl)-2-propylquinazolin-4-one
- IUPAC
- 3-(2,6-dichlorophenyl)-2-propylquinazolin-4-one
- English name
- 3-(2,6-dichlorophenyl)-2-propyl-4(3H)-quinazolinone
- Molecular formula
- C17H14Cl2N2O
- Molecular weight
- 333.21
Names & synonyms
3-(2,6-dichlorophenyl)-2-propylquinazolin-4(3H)-one3-(2,6-dichlorophenyl)-2-propyl-4(3H)-quinazolinone3-(2,6-dichlorophenyl)-2-propylquinazolin-4-oneSTK722529AKOS003593620ST45131608AO-567/406469503-(2,6-dichlorophenyl)-2-propyl-3-hydroquinazolin-4-one4(3H)-Quinazolinone, 3-(2,6-dichlorophenyl)-2-propyl-
Database identifiers
- CAS
381701-04-8- PubChem CID
- 849345
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Boiling point
- 465.8 · 465.8±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.28 · 0.28±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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