Basic information
- CAS
27945-44-4- Standard SMILES
Cc1cc(-n2cnc3ccccc3c2=O)cc(C)c1O- InChIKey
ZDXVJPIFWFEXNR-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-
- IUPAC
- 3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4-one
Names & synonyms
27945-44-4BRN 0802768SRC-6064(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-3-(4-Hydroxy-3,5-xylyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(4-hydroxy-3,5-xylyl)-DTXSID101822205-24-03-00036 (Beilstein Handbook Reference)RefChem:284021DTXCID201047114(3H)-Quinazolinone, 3-(4-hydroxy-3,5-xylyl)-(8CI)3-(4-Hydroxy-3,5-dimethylphenyl)quinazolin-4(3H)-one
Show more names
3-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydroquinazolin-4-one
Database identifiers
- CAS
27945-44-4- PubChem CID
- 64059
- DTXSID
DTXSID10182220
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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