Basic information
- CAS
141305-93-3- Standard SMILES
Cc1ccccc1Cn1cnc2ccccc2c1=O- InChIKey
DGZCAHKAYKNYKZ-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 3-(2-methylbenzyl)-4(3H)-quinazolinone
- IUPAC
- 3-[(2-methylphenyl)methyl]quinazolin-4-one
Names & synonyms
141305-93-33-[(2-Methylphenyl)methyl]-4(3H)-quinazolinone3-(2-methylbenzyl)-4(3H)-quinazolinone4(3h)-quinazolinone,3-[(2-methylphenyl)methyl]-TimTec1_005137Oprea1_315827MLS000699435CHEMBL1343402DTXSID201245900HMS1548J11HMS2509L19AKOS001293817
Show more names
SMR0002302123-[(2-Methylphenyl)methyl]quinazolin-4(3H)-oneAQ-407/41702198SR-01000459512SR-01000459512-1
Database identifiers
- CAS
141305-93-3- PubChem CID
- 678577
- DTXSID
DTXSID201245900- ChEMBL
CHEMBL1343402- Nikkaji
- J476.011E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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