Basic information
- CAS
38275-17-1- Standard SMILES
Cc1ccccc1-n1c(-c2ccncc2)nc2ccccc2c1=O- InChIKey
UQTKFCWPJSWTFK-UHFFFAOYSA-N- Molecular formula
- C20H15N3O
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.12151211
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-(4-pyridyl)-3-(o-tolyl)-
- IUPAC
- 3-(2-methylphenyl)-2-pyridin-4-ylquinazolin-4-one
- English name
- 3-(2-Methylphenyl)-2-(4-pyridyl)quinazolin-4(3H)-one
- Molecular formula
- C20H15N3O
- Molecular weight
- 313.35
Names & synonyms
4(3H)-Quinazolinone, 2-(4-pyridyl)-3-(o-tolyl)-38275-17-1BRN 06209692-(4-Pyridyl)-3-(o-tolyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(4-pyridinyl)-DTXSID901916583-(2-Methylphenyl)-2-(pyridin-4-yl)quinazolin-4(3H)-one3-(2-Methylphenyl)-2-(4-pyridyl)quinazolin-4(3H)-one
Database identifiers
- CAS
38275-17-1- PubChem CID
- 63144
- DTXSID
DTXSID90191658- Nikkaji
- J73.446B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 506.8 · 506.8±52.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 3.48 · 3.48±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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