3-(2-Methoxy-5-nitrophenyl)-2-methyl-4(3H)-quinazolinone
Basic information
- CAS
5051-27-4- Standard SMILES
COc1ccc([N+](=O)[O-])cc1-n1c(C)nc2ccccc2c1=O- InChIKey
DRZRVVQUYAOQIJ-UHFFFAOYSA-N- Molecular formula
- C16H13N3O4
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.0906059
Names & identifiers
- Preferred name
- 3-(2-Methoxy-5-nitrophenyl)-2-methyl-4(3H)-quinazolinone
- IUPAC
- 3-(2-methoxy-5-nitrophenyl)-2-methylquinazolin-4-one
Names & synonyms
3-(2-Methoxy-5-nitrophenyl)-2-methyl-4(3H)-quinazolinoneNIOSH/VA3675050VA367505002-Methyl-3-(2-methoxy-5-nitrophenyl)-chinazolon-42-Methyl-3-(2-methoxy-5-nitrophenyl)-chinazolon-4 [German]4(3H)-Quinazolinone, 3-(2-methoxy-5-nitrophenyl)-2-methyl-Oprea1_513583DTXSID8012016955051-27-43-(2-Methoxy-5-nitrophenyl)-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
5051-27-4- PubChem CID
- 914745
- DTXSID
DTXSID801201695
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
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Compound notes
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