Basic information
- CAS
338412-59-2- Standard SMILES
Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)n2O)cc1- InChIKey
NMWUAZBKUCUGGK-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O2
- Average molar mass
- 286.71 g/mol
- Monoisotopic mass
- 286.0509053
Names & identifiers
- Preferred name
- 6-Chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
- IUPAC
- 6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
- English name
- 6-CHLORO-3-HYDROXY-2-(4-METHYLPHENYL)-4(3H)-QUINAZOLINONE
- Molecular formula
- C15H11ClN2O2
- Molecular weight
- 286.71
Names & synonyms
338412-59-26-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one6-chloro-3-hydroxy-2-(4-methylphenyl)-4(3H)-quinazolinone6-chloro-3-hydroxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-oneOprea1_274228MLS001165233CHEMBL1584524REGID_for_CID_4538652DTXSID701322165HMS2884I08AKOS0050882393K-525S
Show more names
4(3H)-Quinazolinone, 6-chloro-3-hydroxy-2-(4-methylphenyl)-
SMR0005498096-Chloro-3-hydroxy-2-(p-tolyl)quinazolin-4(3H)-one6-Chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4(3H)-one
Database identifiers
- CAS
338412-59-2- PubChem CID
- 4538652
- DTXSID
DTXSID701322165- ChEMBL
CHEMBL1584524
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
Solubility42.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 492.6 · 492.6±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 7.27 · 7.27±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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