Basic information
- CAS
15589-18-1- Standard SMILES
CC(C[N+](C)(C)C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1.[I-]- InChIKey
AYJQMRWRASTRLL-UHFFFAOYSA-M- Molecular formula
- C20H23ClIN3OS
- Average molar mass
- 515.8 g/mol
- Monoisotopic mass
- 515.02951
Names & identifiers
- Preferred name
- Ammonium, (2-((3,4-dihydro-7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio)propyl)trimethyl-, iodide
- IUPAC
- 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl-trimethylazanium iodide
Names & synonyms
Ammonium, (2-((3,4-dihydro-7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio)propyl)trimethyl-, iodide15589-18-1RefChem:318700DTXSID609353042-[(7-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]-N,N,N-trimethylpropan-1-aminium iodide
Database identifiers
- CAS
15589-18-1- PubChem CID
- 27403
- DTXSID
DTXSID60935304
Properties
Computed structural properties
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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