Basic information
- CAS
1915-78-2- Standard SMILES
Cc1cc(Cl)ccc1-n1c(C)nc2ccccc2c1=O- InChIKey
RJZXLKDGUVNJLR-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0716407
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-chloro-2-methylphenyl)-2-methyl-
- IUPAC
- 3-(4-chloro-2-methylphenyl)-2-methylquinazolin-4-one
- English name
- 4(3H)-Quinazolinone, 3-(4-chloro-2-methylphenyl)-2-methyl-
- Molecular formula
- C16H13ClN2O
- Molecular weight
- 284.74
Names & synonyms
1915-78-24(3H)-Quinazolinone, 3-(4-chloro-2-methylphenyl)-2-methyl-3-(4-Chloro-2-methylphenyl)-2-methyl-4(3H)-quinazolinoneB 107BRN 08888043-(4-Chloro-o-tolyl)-2-methyl-4(3H)-quinazolinone2-Methyl-3-(4-chloro-2-methylphenyl)-4(3H)-quinazolinone2-Methyl-3-(4'-chlor-2'-methylphenyl)chinazolon-(4) [German]B-1072-Methyl-3-(4'-chlor-2'-methylphenyl)chinazolon-(4)DTXSID80172673RJZXLKDGUVNJLR-UHFFFAOYSA-N
Show more names
3-(4-Chloro-2-methylphenyl)-2-methylquinazolin-4(3H)-onePD206027
Database identifiers
- CAS
1915-78-2- PubChem CID
- 63709
- DTXSID
DTXSID80172673- Nikkaji
- J73.062I
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 423
Physicochemical properties
- Melting point
- 103 · 103-105 °C
- Boiling point
- 450.1 · 450.1±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- solubility
- DMSO: Soluble
- pka
- 2.59 · 2.59±0.70(Predicted)
Chemistry & industry
Applications
Description3-(4-Chloro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone (Item No. 40204) is an analytical reference standard categorized as a quinazolinone. This product is intended for research and forensic applications.WARNING This product is not for human or veterinary use.
Suppliers1 total
Cayman Chemical Company[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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