Basic information
- CAS
1789-07-7- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1.Cl- InChIKey
POHGXZJNLJXCRA-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-(p-nitrophenyl)-, hydrochloride
- IUPAC
- 2-methyl-3-(4-nitrophenyl)quinazolin-4-one;hydrochloride
Names & synonyms
CHI 18B 1304(3H)-Quinazolinone, 2-methyl-3-(p-nitrophenyl)-, hydrochloride1789-07-72-Methyl-3-(4-nitrophenyl)-4(3H)-quinazolinone hydrochloride2-Methyl-3-(4'-nitrophenyl)chinazolon-(4) hydrochlorid [German]4(3H)-Quinazolinone, 2-methyl-3-(4-nitrophenyl)-, hydrochlorideDTXSID301706092-Methyl-3-(4'-nitrophenyl)chinazolon-(4) hydrochloridRefChem:283893DTXCID80931002-Methyl-3-(4-nitrophenyl)quinazolin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
1789-07-7- PubChem CID
- 63707
- DTXSID
DTXSID30170609
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
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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