4(3H)-Quinazolinone, 2-methyl-3-(o-nitrophenyl)-, hydrochloride
Basic information
- CAS
1789-06-6- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-].Cl- InChIKey
OEUGFBQSJPZZFJ-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O3
- Average molar mass
- 317.72 g/mol
- Monoisotopic mass
- 317.0567189
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2-methyl-3-(o-nitrophenyl)-, hydrochloride
- IUPAC
- 2-methyl-3-(2-nitrophenyl)quinazolin-4-one;hydrochloride
Names & synonyms
B 1354(3H)-Quinazolinone, 2-methyl-3-(o-nitrophenyl)-, hydrochloride2-Methyl-3-(2'-nitrophenyl)chinazolon-(4) [German]1789-06-62-Methyl-3-(2'-nitrophenyl)chinazolon-(4)2-Methyl-3-(2'-nitrophenyl)chinazolon-4 hydrochloride [German]DTXSID701706082-Methyl-3-(2'-nitrophenyl)chinazolon-4 hydrochlorideRefChem:283891DTXCID60930992-Methyl-3-(2-nitrophenyl)quinazolin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
1789-06-6- PubChem CID
- 63363
- DTXSID
DTXSID70170608
Properties
Computed structural properties
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
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Compound notes
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