Basic information
- CAS
27945-45-5- Standard SMILES
CCc1nc2ccccc2c(=O)n1-c1cc(C)c(O)c(C)c1- InChIKey
OLHQWYZJCYGQDW-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-2-ethyl-
- IUPAC
- 2-ethyl-3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4-one
Names & synonyms
27945-45-5BRN 0818163SRC-6054(3H)-Quinazolinone, 3-(3,5-dimethyl-4-hydroxyphenyl)-2-ethyl-2-Ethyl-3-(4-hydroxy-3,5-xylyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 2-ethyl-3-(4-hydroxy-3,5-xylyl)-DTXSID701822215-24-03-00277 (Beilstein Handbook Reference)RefChem:284022DTXCID801047124(3H)-Quinazolinone, 2-ethyl-3-(4-hydroxy-3,5-xylyl)-(8CI)2-Ethyl-3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4(3H)-one
Show more names
2-ethyl-3-(4-hydroxy-3,5-dimethylphenyl)-3,4-dihydroquinazolin-4-one
Database identifiers
- CAS
27945-45-5- PubChem CID
- 63757
- DTXSID
DTXSID70182221
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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