6-Nitroquinazoline
Basic information
- CAS
7556-95-8- Standard SMILES
O=[N+]([O-])c1ccc2ncncc2c1- InChIKey
RPTKRGHYKSBDJL-UHFFFAOYSA-N- Molecular formula
- C8H5N3O2
- Average molar mass
- 175.14 g/mol
- Monoisotopic mass
- 175.03817641
Names & identifiers
- Preferred name
- 6-Nitroquinazoline
- IUPAC
- 6-nitroquinazoline
- English name
- 6-Nitroquinazoline
- Molecular formula
- C8H5N3O2
- Molecular weight
- 175.14
Names & synonyms
6-NitroquinazolineQuinazoline, 6-nitro-7556-95-86-Nitroquinazoline #SCHEMBL924748orb2567156DTXSID60344891AKOS006371228DB-253561HY-157794CS-0998886T85511
Database identifiers
- CAS
7556-95-8- PubChem CID
- 600211
- DTXSID
DTXSID60344891- Nikkaji
- J102.528G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 174.5 · 174.5-175 °C
- Boiling point
- 346.2 · 346.2±15.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.26(Predicted)
Chemistry & industry
Applications
Uses6-Nitroquinazoline is an antimalarial agent. 6-Nitroquinazoline is also a substrate for human liver aldehyde oxidase[1].
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Related reactions
8 records
Compound notes
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