3-(2-Nitrophenyl)quinazolin-4-one
Basic information
- CAS
154642-82-7- Standard SMILES
O=c1c2ccccc2ncn1-c1ccccc1[N+](=O)[O-]- InChIKey
OSXUBIXLFJGLBZ-UHFFFAOYSA-N- Molecular formula
- C14H9N3O3
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.06439116
Names & identifiers
- Preferred name
- 3-(2-Nitrophenyl)quinazolin-4-one
- IUPAC
- 3-(2-nitrophenyl)quinazolin-4-one
Names & synonyms
3-(2-nitrophenyl)quinazolin-4-one3-(2-nitrophenyl)quinazolin-4(3H)-one154642-82-73-(2-Nitro-phenyl)-3H-quinazolin-4-oneOprea1_364742Oprea1_421551MLS001210154CHEMBL1521157SCHEMBL10972297DTXSID001320063HMS2837D11AKOS000541019
Show more names
SMR000504751SR-01000311830SR-01000311830-1
Database identifiers
- CAS
154642-82-7- PubChem CID
- 827296
- DTXSID
DTXSID001320063- ChEMBL
CHEMBL1521157- Nikkaji
- J1.917.578B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
Solubility35.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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