Basic information
- CAS
351225-43-9- Standard SMILES
C=C1c2cc(C)c(C)cc2NC(=O)N1c1ccccc1- InChIKey
ORPWCBBBYPPRIJ-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- 6,7-dimethyl-4-methylene-3-phenyl-3,4-dihydro-2(1H)-quinazolinone
- IUPAC
- 6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one
- English name
- 6,7-dimethyl-4-methylene-3-phenyl-3,4-dihydro-2(1H)-quinazolinone
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32
Names & synonyms
351225-43-96,7-dimethyl-4-methylene-3-phenyl-3,4-dihydro-2(1H)-quinazolinone6,7-dimethyl-4-methylidene-3-phenyl-1H-quinazolin-2-one6,7-dimethyl-4-methylidene-3-phenyl-3,4-dihydroquinazolin-2(1H)-oneOprea1_567585MLS000767472CHEMBL1386596DTXSID901322054HMS2800J14STK074342AKOS001621610CCG-107767
Show more names
2(1H)-Quinazolinone, 3,4-dihydro-6,7-dimethyl-4-methylene-3-phenyl-
SMR000429806AJ-292/13095335SR-01000450134SR-01000450134-16,7-Dimethyl-4-methylene-3-phenyl-3,4-dihydro-1H-quinazolin-2-one6,7-dimethyl-4-methylene-3-phenyl-3,4-dihydroquinazolin-2(1H)-one
Database identifiers
- CAS
351225-43-9- PubChem CID
- 899340
- DTXSID
DTXSID901322054- ChEMBL
CHEMBL1386596
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility24.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 471.2 · 471.2±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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