3-[(4-Ethoxyphenyl)methylideneamino]-2-(furan-2-yl)quinazolin-4-one
Basic information
- CAS
384844-72-8- Standard SMILES
CCOc1ccc(C=Nn2c(-c3ccco3)nc3ccccc3c2=O)cc1- InChIKey
SQIBNGORSCMKLB-UHFFFAOYSA-N- Molecular formula
- C21H17N3O3
- Average molar mass
- 359.4 g/mol
Names & identifiers
- Preferred name
- 3-[(4-Ethoxyphenyl)methylideneamino]-2-(furan-2-yl)quinazolin-4-one
- IUPAC
- 3-[(4-ethoxyphenyl)methylideneamino]-2-(furan-2-yl)quinazolin-4-one
- English name
- 3-[(4-ethoxybenzylidene)amino]-2-(2-furyl)-4(3H)-quinazolinone
- Molecular formula
- C21H17N3O3
- Molecular weight
- 359.38
Names & synonyms
Oprea1_7659533-[(4-ethoxybenzylidene)amino]-2-(2-furyl)-4(3H)-quinazolinone
Database identifiers
- CAS
384844-72-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Boiling point
- 534.277 · 534.277±56.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.256 · 1.256±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.124 · -1.124±0.20(predicted)
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Compound notes
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