Nifurquinazol
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Basic information
- CAS
5055-20-9- Standard SMILES
O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)o1- InChIKey
AUEOHSUMWXAPBX-UHFFFAOYSA-N- Molecular formula
- C16H16N4O5
- Average molar mass
- 344.32 g/mol
- Monoisotopic mass
- 344.11206962
Overview
Nifurquinazol is a small molecule drug. The usage of the INN stem 'nifur-' in the name indicates that Nifurquinazol is a 5-nitrofuran derivative. Nifurquinazol has a monoisotopic molecular weight of 344.11 Da.
Names & identifiers
- Preferred name
- Nifurquinazol
- IUPAC
- 2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol
- English name
- Nifurquinazol
- Molecular formula
- C16H16N4O5
- Molecular weight
- 344.32
Names & synonyms
NIFURQUINAZOLNifurquinazole5055-20-9NF-1088NF 10882-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanolNSC-2205894-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)quinazoline2,2'-((2-(5-Nitro-2-furyl)-4-quinazolinyl)imino)diethanolQuinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)-44E5RRL600NSC220589
Show more names
2,2'-[[2-(5-Nitro-2-furyl)-4-quinazolinyl]imino]diethanol4-BIS(2-HYDROXY-ETHYL)AMINO-2-(5-NITRO-2-FURYL)QUINAZOLINEEthanol, 2,2'-[[2-(5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-2-[2-hydroxyethyl-[2-(5-nitro-2-furyl)quinazolin-4-yl]amino]ethanol
Ethanol, 2,2'-((2-(5-nitro-2-furanyl)-4-quinazolinyl)imino)bis-NifurquinazolumNifurchinazoloNifurchinazolo [DCIT]Nifurquinazol [USAN:INN]Nifurquinazolum [INN-Latin]NSC 22058NSC 220589
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 167.5 °C · 167.5°C
- Boiling point
- 479.43 °C · 479.43°C (rough estimate)
- Density
- 1.2374 · 1.2374 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 13.89 · 13.89±0.10(Predicted)
- FDA UNII
- 44 E5RRL600 · 44E5RRL600
Chemistry & industry
Applications
UsesAntibacterial.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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