Basic information
- CAS
40889-63-2- Standard SMILES
Cc1ccc(Nc2nnc(Cn3c(C)nc4ccccc4c3=O)o2)cc1- InChIKey
PBQCUXVJXZLTPQ-UHFFFAOYSA-N- Molecular formula
- C19H17N5O2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.1382248
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-methyl-3-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-
- IUPAC
- 2-methyl-3-[[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
Names & synonyms
BRN 10414984(3H)-Quinazolinone, 2-methyl-3-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-40889-63-2DTXSID701938772-Methyl-3-((5-((4-methylphenyl)amino)-1,3,4-oxadiazol-2-yl)methyl)-4(3H)-quinazolinoneRefChem:283871DTXCID101163682-Methyl-3-{[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]methyl}quinazolin-4(3H)-one
Database identifiers
- CAS
40889-63-2- PubChem CID
- 63239
- DTXSID
DTXSID70193877
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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