4(3H)-Quinazolinone, 2-methyl-3-(2,5-xylyl)-
Basic information
- CAS
10367-31-4- Standard SMILES
Cc1ccc(C)c(-n2c(C)nc3ccccc3c2=O)c1- InChIKey
PMTDQSQXZCHYBZ-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-methyl-3-(2,5-xylyl)-
- IUPAC
- 3-(2,5-dimethylphenyl)-2-methylquinazolin-4-one
Names & synonyms
10367-31-4Ro 3264(3H)-Quinazolinone, 2-methyl-3-(2,5-xylyl)-2-Methyl-3-(2,5-xylyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(2,5-dimethylphenyl)-2-methyl-2-Methyl-3-(2',5'-dimethylphenyl)-4-chinazolinon [German]DTXSID501459952-Methyl-3-(2',5'-dimethylphenyl)-4-chinazolinonRefChem:283877DTXCID60684863-(2,5-dimethylphenyl)-2-methylquinazolin-4(3H)-one3-(2,5-dimethylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
Show more names
MLS001029740CHEMBL2138680HMS2790G06AKOS003218611NCGC00246419-01SMR000427114ST509895613-(2,5-Dimethyl-phenyl)-2-methyl-3H-quinazolin-4-one
Database identifiers
- CAS
10367-31-4- PubChem CID
- 63395
- DTXSID
DTXSID50145995- ChEMBL
CHEMBL2138680
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Solubility>39.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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