4(3H)-Quinazolinone, 2-methyl-3-(2,3-xylyl)-
Basic information
- CAS
1915-79-3- Standard SMILES
Cc1cccc(-n2c(C)nc3ccccc3c2=O)c1C- InChIKey
JIKUUQKCXVSNPX-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-(2,3-xylyl)-
- IUPAC
- 3-(2,3-dimethylphenyl)-2-methylquinazolin-4-one
- English name
- 4(3H)-Quinazolinone, 3-(2,3-dimethylphenyl)-2-methyl-
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32
Names & synonyms
1915-79-34(3H)-Quinazolinone, 2-methyl-3-(2,3-xylyl)-Ro 353B 1914(3H)-Quinazolinone, 3-(2,3-dimethylphenyl)-2-methyl-2-Methyl-3-(2,3-xylyl)-4(3H)-quinazolinoneBRN 08874832-Methyl-3-(2',3'-dimethylphenyl)-4-chinazolinon [German]DTXSID401726745-24-03-00136 (Beilstein Handbook Reference)2-Methyl-3-(2',3'-dimethylphenyl)-4-chinazolinonRefChem:283876
Show more names
DTXCID10951653-(2,3-dimethylphenyl)-2-methylquinazolin-4-one3-(2,3-dimethylphenyl)-2-methylquinazolin-4(3H)-one3-(2,3-DIMETHYLPHENYL)-2-METHYL-4(3H)-QUINAZOLINONECambridge id 7177277MLS000765235CHEMBL1720385HMS2738B08
Database identifiers
- CAS
1915-79-3- PubChem CID
- 63118
- DTXSID
DTXSID40172674- ChEMBL
CHEMBL1720385
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)
Physicochemical properties
- Melting point
- 156 · 156-158 °C
- Boiling point
- 438.6 · 438.6±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- solubility
- 10 mg/ml · Chloroform: 10 mg/ml
- form
- A crystalline solid
- pka
- 2.99 · 2.99±0.70(Predicted)
Chemistry & industry
Applications
Description3-(2,3-Dimethylphenyl)-2-methyl-4(3H)-quinazolinone is an analytical reference standard categorized as a quinazolinone. This product is intended for research and forensic applications.
Uses3-(2,3-Dimethylphenyl)-2-methylquinazolin-4-one is a quinazolone derivative[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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