Nitromethaqualone hydrochloride
Basic information
- CAS
3946-23-4- Standard SMILES
COc1cc([N+](=O)[O-])ccc1-n1c(C)nc2ccccc2c1=O.Cl- InChIKey
SIAJXPPTHOCXGA-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O4
- Average molar mass
- 347.75 g/mol
- Monoisotopic mass
- 347.0672836
Names & identifiers
- Preferred name
- Nitromethaqualone hydrochloride
- IUPAC
- 3-(2-methoxy-4-nitrophenyl)-2-methylquinazolin-4-one;hydrochloride
Names & synonyms
Nitromethaqualone hydrochlorideBCK3LS75SR90509-03-8DTXSID102381903-(2-Methoxy-4-nitrophenyl)-2-methylquinazolin-4-one, hydrochloride4(3H)-Quinazolinone, 3-(2-methoxy-4-nitrophenyl)-2-methyl-, monohydrochloride4(3H)-Quinazolinone, 3-(2-methoxy-4-nitrophenyl)-2-methyl-, hydrochloride (1:1)3946-23-4RefChem:166109DTXCID30160681UNII-BCK3LS75SR3-(2-Methoxy-4-nitrophenyl)-2-methylquinazolin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
3946-23-4、90509-03-8- PubChem CID
- 185026
- DTXSID
DTXSID10238190- UNII
- BCK3LS75SR
Properties
Computed structural properties
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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