6-bromo-4-(4-methylphenyl)-1H-quinazolin-2-one
Basic information
- CAS
299928-95-3- Standard SMILES
Cc1ccc(-c2nc(=O)[nH]c3ccc(Br)cc23)cc1- InChIKey
PISGBALMUWFULF-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.00548
Names & identifiers
- Preferred name
- 6-bromo-4-(4-methylphenyl)-1H-quinazolin-2-one
- IUPAC
- 6-bromo-4-(4-methylphenyl)-1H-quinazolin-2-one
Names & synonyms
6-bromo-4-(4-methylphenyl)-1H-quinazolin-2-one299928-95-36-Bromo-4-p-tolyl-1H-quinazolin-2-oneMLS001209763CHEMBL1400626DTXSID001322164HMS2846N10STK644231AKOS000540916AKOS005575464SMR0005047606-bromo-4-(p-tolyl)quinazolin-2(1H)-one
Show more names
ST40531396-bromo-4-(4-methylphenyl)quinazolin-2-olST502989576-bromo-4-(4-methylphenyl)-2(1H)-quinazolinone6-Bromo-4-(4-methylphenyl)quinazolin-2(1H)-oneAG-690/32528054SR-01000528312SR-01000528312-1
Database identifiers
- CAS
299928-95-3- PubChem CID
- 836892
- DTXSID
DTXSID001322164- ChEMBL
CHEMBL1400626
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Solubility6.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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