3-hydroxy-2-(4-nitrophenyl)-4(3H)-quinazolinone
Basic information
- CAS
37833-85-5- Standard SMILES
O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1O- InChIKey
LPIPINHRRHQQMY-UHFFFAOYSA-N- Molecular formula
- C14H9N3O4
- Average molar mass
- 283.24 g/mol
Names & identifiers
- Preferred name
- 3-hydroxy-2-(4-nitrophenyl)-4(3H)-quinazolinone
- IUPAC
- 3-hydroxy-2-(4-nitrophenyl)quinazolin-4-one
- English name
- 3-Hydroxy-2-(4-nitrophenyl)-4(3H)-quinazolinone
- Molecular formula
- C14H9N3O4
- Molecular weight
- 283.24
Names & synonyms
3-hydroxy-2-(4-nitrophenyl)-4(3H)-quinazolinone37833-85-53-hydroxy-2-(4-nitrophenyl)quinazolin-4-one3-hydroxy-2-(4-nitrophenyl)-3,4-dihydroquinazolin-4-oneOprea1_035498MLS000695084CHEMBL1380557HMS2640K08AKOS00508052012J-551SSMR0003347214(3H)-Quinazolinone, 3-hydroxy-2-(4-nitrophenyl)-
Database identifiers
- CAS
37833-85-5- ChEMBL
CHEMBL1380557
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Melting point
- 237 °C · 237 °C
- Boiling point
- 528.9 · 528.9±52.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 7.58 · 7.58±0.20(Predicted)
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Compound notes
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