4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-2-(4-methylphenyl)-
Basic information
- CAS
90059-43-1- Standard SMILES
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)no2)cc1- InChIKey
KETSTQXKYPKCMO-UHFFFAOYSA-N- Molecular formula
- C19H15N3O2
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.11642673
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-2-(4-methylphenyl)-
- IUPAC
- 3-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylphenyl)quinazolin-4-one
Names & synonyms
90059-43-14(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-2-(4-methylphenyl)-DTXSID50346541RefChem:284053DTXCID802976133-(3-Methylisoxazol-5-yl)-2-(p-tolyl)quinazolin-4(3H)-one3-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one2-p-Tolyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinoneKETSTQXKYPKCMO-UHFFFAOYSA-N3-(3-Methyl-1,2-oxazol-5-yl)-2-(4-methylphenyl)quinazolin-4(3H)-one3-(3-Methyl-5-isoxazolyl)-2-(4-methylphenyl)-4(3H)-quinazolinone #
Database identifiers
- CAS
90059-43-1- PubChem CID
- 613114
- DTXSID
DTXSID50346541- Nikkaji
- J615.981H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 513
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Compound notes
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