Basic information
- CAS
81822-11-9- Standard SMILES
CC(C)n1c(-c2ccc(Cl)cc2)nc(=O)c2ccccc21- InChIKey
PMQQDJFDYHQFOR-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.0872908
Names & identifiers
- Preferred name
- 4(1H)-Quinazolinone, 2-(p-chlorophenyl)-1-isopropyl-
- IUPAC
- 2-(4-chlorophenyl)-1-propan-2-ylquinazolin-4-one
Names & synonyms
BRN 55729584(1H)-Quinazolinone, 2-(p-chlorophenyl)-1-isopropyl-81822-11-91-Isopropyl-2-(4-chlorophenyl)-4(1H)-quinazolinoneDTXSID10231404RefChem:283686DTXCID70153895CHEMBL3455662-(4-Chlorophenyl)-1-(propan-2-yl)quinazolin-4(1H)-one
Database identifiers
- CAS
81822-11-9- PubChem CID
- 63291
- DTXSID
DTXSID10231404- ChEMBL
CHEMBL345566
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…