Basic information
- CAS
139755-24-1- Standard SMILES
COc1ccc(C[n+]2c(C)n(-c3ccc(Cl)cc3)c(=O)c3ccccc32)c(OC)c1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
BRTQCIWILCOZJY-UHFFFAOYSA-M- Molecular formula
- C24H22Cl2N2O7
- Average molar mass
- 521.3 g/mol
- Monoisotopic mass
- 520.0804064
Names & identifiers
- Preferred name
- Quinazolinium, 3,4-dihydro-3-(4-chlorophenyl)-1-((2,4-dimethoxyphenyl)methyl)-2-methyl-4-oxo-, perchlorate
- IUPAC
- 3-(4-chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-methylquinazolin-1-ium-4-one perchlorate
Names & synonyms
139755-24-1Quinazolinium, 3,4-dihydro-3-(4-chlorophenyl)-1-((2,4-dimethoxyphenyl)methyl)-2-methyl-4-oxo-, perchlorate1-(2',4'-Dimethoxybenzyl)-2-methyl-3-(4'-chlorophenyl)-4(3H)-quinazolinium perchlorateDTXSID30161158RefChem:378425DTXCID30836493-(4-Chlorophenyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium perchlorate
Database identifiers
- CAS
139755-24-1- PubChem CID
- 3072008
- DTXSID
DTXSID30161158
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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