Basic information
- CAS
27945-54-6- Standard SMILES
Cc1cc(-n2c(C)nc3ccc(Br)cc3c2=O)cc(C)c1O- InChIKey
PBXWMYRTSVLMAI-UHFFFAOYSA-N- Molecular formula
- C17H15BrN2O2
- Average molar mass
- 359.2 g/mol
- Monoisotopic mass
- 358.03169
Names & identifiers
- Preferred name
- Src 677
- IUPAC
- 6-bromo-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4-one
Names & synonyms
27945-54-6BRN 0818424SRC 677SRC-6774(3H)-Quinazolinone, 6-bromo-3-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-DTXSID101822254(3H)-Quinazolinone, 6-bromo-3-(4-hydroxy-3,5-xylyl)-2-methyl-5-24-03-00202 (Beilstein Handbook Reference)RefChem:381249DTXCID201047164(3H)-Quinazolinone, 6-bromo-3-(4-hydroxy-3,5-xylyl)-2-methyl-(8CI)6-Bromo-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4(3H)-one
Show more names
6-bromo-3-(4-hydroxy-3,5-dimethylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
Database identifiers
- CAS
27945-54-6- PubChem CID
- 63759
- DTXSID
DTXSID10182225
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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