Basic information
- CAS
31383-55-8- Standard SMILES
COCc1nc2ccccc2c(=O)n1-c1ccccc1C- InChIKey
QDRBPXRQVCYGCU-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-methoxymethyl-3-(o-tolyl)-
- IUPAC
- 2-(methoxymethyl)-3-(2-methylphenyl)quinazolin-4-one
- English name
- 2-(Methoxymethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone
- Molecular formula
- C17H16N2O2
- Molecular weight
- 280.32
Names & synonyms
4(3H)-Quinazolinone, 2-methoxymethyl-3-(o-tolyl)-31383-55-8BRN 07567862-Methoxymethyl-3-(o-tolyl)-4(3H)-quinazoloneCHEMBL3251249DTXSID601853072-(Methoxymethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one2-(Methoxymethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 2-(methoxymethyl)-3-(2-methylphenyl)-
Database identifiers
- CAS
31383-55-8- PubChem CID
- 64060
- DTXSID
DTXSID60185307- ChEMBL
CHEMBL3251249- Nikkaji
- J54.276H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 92 · 92-94 °C
- Boiling point
- 428.4 · 428.4±55.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 0.99 · 0.99±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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