Basic information
- CAS
957-02-8- Standard SMILES
CC1(c2ccccc2)NC(=O)c2ccccc2N1- InChIKey
SLVKQLFZYGGACC-UHFFFAOYSA-N- Molecular formula
- C15H14N2O
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.11061307
Names & identifiers
- Preferred name
- 2-methyl-2-phenyl-2,3-dihydroquinazolin-4(1H)-one
- IUPAC
- 2-methyl-2-phenyl-1,3-dihydroquinazolin-4-one
- English name
- 2-Methyl-2-phenyl-2,3-dihydroquinazolin-4(1H)-one
- Molecular formula
- C15H14N2O
- Molecular weight
- 238.28
Names & synonyms
2-methyl-2-phenyl-2,3-dihydroquinazolin-4(1H)-one957-02-82-methyl-2-phenyl-2,3-dihydro-4(1H)-quinazolinone2-methyl-2-phenyl-1,2,3,4-tetrahydroquinazolin-4-one2-METHYL-2-PHENYL-1,3-DIHYDROQUINAZOLIN-4-ONESCHEMBL29913496DTXSID70513137BDBM222141STL259849AKOS005271055DB-356142Z48978298
Show more names
4(1H)-Quinazolinone, 2,3-dihydro-2-methyl-2-phenyl-(+/-)-2,3-dihydro-2-methyl-2-phenyl-4(1H)-quinazolinone
2-methyl-2-phenyl-2,3-dihydroquinazolin-4(1H)-one (3b)
Database identifiers
- CAS
957-02-8- PubChem CID
- 12925307
- DTXSID
DTXSID70513137- Nikkaji
- J2.867.682D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 177 · 177-179 °C
- Boiling point
- 494.1 · 494.1±45.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.5 · 12.50±0.40(Predicted)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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