4-[2-[2-Methyl-4-oxo-3,4-dihydro-3-quinazolinyl]ethoxy]nitrobenzene
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Basic information
- Standard SMILES
Cc1nc2ccccc2c(=O)n1CCOc1ccc([N+](=O)[O-])cc1- InChIKey
NUYBUFNBOBIQCI-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
- Monoisotopic mass
- 325.10625597
Names & identifiers
- Preferred name
- 4-[2-[2-Methyl-4-oxo-3,4-dihydro-3-quinazolinyl]ethoxy]nitrobenzene
- IUPAC
- 2-methyl-3-[2-(4-nitrophenoxy)ethyl]quinazolin-4-one
Names & synonyms
SCHEMBL5935604NUYBUFNBOBIQCI-UHFFFAOYSA-N4-[2-[2-Methyl-4-oxo-3,4-dihydro-3-quinazolinyl]ethoxy]nitrobenzene4-[2-[2-Methyl-4oxo-3,4-dihydro-3-quinazolinyl]ethoxy]nitrobenzene
Database identifiers
- PubChem CID
- 21960146
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
7 records
Compound notes
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