Basic information
- CAS
1788-96-1- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1- InChIKey
YOHKWEFKBJNRBR-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 2-Methyl-3-(4-nitrophenyl)quinazolin-4-one
- IUPAC
- 2-methyl-3-(4-nitrophenyl)quinazolin-4-one
Names & synonyms
1788-96-1GNF-Pf-1297NSC 4009744(3H)-Quinazolinone, 2-methyl-3-(4-nitrophenyl)-2-methyl-3-(4-nitrophenyl)quinazolin-4-one2-Methyl-3-(4-nitro-phenyl)-3H-quinazolin-4-oneNSC400974CBMicro_009015Oprea1_317260Oprea1_492061MLS001202713CHEMBL580891
Show more names
DTXSID90275684HMS2814L19SMSF0003585AKOS000540935CB11720NSC-400974NCGC00244994-01SMR000504746
Database identifiers
- CAS
1788-96-1- PubChem CID
- 63708
- DTXSID
DTXSID90275684- ChEMBL
CHEMBL580891
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
Solubility>42.2 [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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