3-(4-Chloro-2-nitrophenyl)-2-methylquinazolin-4-one
Basic information
- CAS
14080-45-6- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
HTAWKILCUXVZHX-UHFFFAOYSA-N- Molecular formula
- C15H10ClN3O3
- Average molar mass
- 315.71 g/mol
- Monoisotopic mass
- 315.0410689
Names & identifiers
- Preferred name
- 3-(4-Chloro-2-nitrophenyl)-2-methylquinazolin-4-one
- IUPAC
- 3-(4-chloro-2-nitrophenyl)-2-methylquinazolin-4-one
Names & synonyms
3-(4-chloro-2-nitrophenyl)-2-methylquinazolin-4-one14080-45-63-(4-chloro-2-nitrophenyl)-2-methylquinazolin-4(3H)-oneMLS000664900CHEMBL1449044DTXSID101319774HMS2671G14STL049356AKOS005702792SMR000294870SR-01000281516SR-01000281516-1
Show more names
3-(4-chloro-2-nitrophenyl)-2-methyl-4(3H)-quinazolinone
Database identifiers
- CAS
14080-45-6- PubChem CID
- 973017
- DTXSID
DTXSID101319774- ChEMBL
CHEMBL1449044
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Experimental & physicochemical properties
Solubility7.2 [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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