3-(4-bromophenyl)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one
Basic information
- CAS
84770-66-1- Standard SMILES
CC1(C)Nc2ccccc2C(=O)N1c1ccc(Br)cc1- InChIKey
DQOQCMQXBOGZGD-UHFFFAOYSA-N- Molecular formula
- C16H15BrN2O
- Average molar mass
- 331.21 g/mol
- Monoisotopic mass
- 330.03678
Names & identifiers
- Preferred name
- 3-(4-bromophenyl)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one
- IUPAC
- 3-(4-bromophenyl)-2,2-dimethyl-1H-quinazolin-4-one
Names & synonyms
3-(4-bromophenyl)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one84770-66-13-(4-bromophenyl)-2,2-dimethyl-1,2,3,4-tetrahydroquinazolin-4-one3-(4-bromophenyl)-2,2-dimethyl-2,3-dihydro-4(1H)-quinazolinoneHMS2796G16Oprea1_424216Oprea1_794053MLS001179325CHEMBL1730053DTXSID303514914(1H)-Quinazolinone, 3-(4-bromophenyl)-2,3-dihydro-2,2-dimethyl-STK761746
Show more names
AKOS000566973SMR000476135AG-205/13459002SR-01000527443SR-01000527443-1
Database identifiers
- CAS
84770-66-1- PubChem CID
- 701683
- DTXSID
DTXSID30351491- ChEMBL
CHEMBL1730053- Nikkaji
- J1.888.902A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Experimental & physicochemical properties
Solubility12.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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