4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((diethylamino)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-, monohydrochloride
Basic information
- CAS
117038-98-9- Standard SMILES
CCN(CC)CC(CN1CCCC1=O)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1.Cl- InChIKey
RJHHFSNWTPUFQE-UHFFFAOYSA-N- Molecular formula
- C25H30Cl2N4O2S
- Average molar mass
- 521.5 g/mol
- Monoisotopic mass
- 520.1466528
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((diethylamino)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-, monohydrochloride
- IUPAC
- 3-(4-chlorophenyl)-2-[1-(diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanylquinazolin-4-one;hydrochloride
Names & synonyms
117038-98-94(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((diethylamino)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-, monohydrochlorideRefChem:284083DTXSID009222583-(4-Chlorophenyl)-2-{[1-(diethylamino)-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanyl}quinazolin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
117038-98-9- PubChem CID
- 63672
- DTXSID
DTXSID00922258
Properties
Computed structural properties
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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