Basic information
- CAS
13961-64-3- Standard SMILES
Cc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1- InChIKey
ULRSRGDZNASHQP-UHFFFAOYSA-N- Molecular formula
- C15H12N2O
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.09496301
Names & identifiers
- Preferred name
- 2(1H)-Quinazolinone, 6-methyl-4-phenyl-
- IUPAC
- 6-methyl-4-phenyl-1H-quinazolin-2-one
- English name
- 6-Methyl-4-phenylquinazolin-2(1H)-one
- Molecular formula
- C15H12N2O
- Molecular weight
- 236.27
Names & synonyms
13961-64-3BRN 01942422(1H)-Quinazolinone, 6-methyl-4-phenyl-6-Methyl-4-phenyl-2(1H)-quinazolinoneDTXSID101611315-24-04-00373 (Beilstein Handbook Reference)RefChem:241360DTXCID00836226-methyl-4-phenylquinazolin-2(1H)-one6-methyl-4-phenylquinazolin-2-ol6-Methyl-4-phenyl-1H-quinazolin-2-one6-methyl-4-phenyl-1,2-dihydroquinazolin-2-one
Show more names
Enamine_001659ChemDiv2_000239Cambridge id 5219044Cambridge id 5849573Oprea1_291909Oprea1_754248CHEMBL4060497SCHEMBL11604874
Database identifiers
- CAS
13961-64-3- PubChem CID
- 63124
- DTXSID
DTXSID10161131- ChEMBL
CHEMBL4060497- Nikkaji
- J1.575.275K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
LogP2.32
Physicochemical properties
- Melting point
- 286 · 286-287 °C(Solv: N,N-dimethylformamide (68-12-2))
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.04 · 12.04±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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