4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride
Basic information
- CAS
117063-96-4- Standard SMILES
Cl.O=C1CCCN1CC(CN1CCCCC1)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1- InChIKey
VGJRMKATYIPVJJ-UHFFFAOYSA-N- Molecular formula
- C26H30Cl2N4O2S
- Average molar mass
- 533.5 g/mol
- Monoisotopic mass
- 532.1466528
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride
- IUPAC
- 3-(4-chlorophenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one;hydrochloride
Names & synonyms
117063-96-44(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochlorideRefChem:284082DTXSID409222723-(4-Chlorophenyl)-2-{[1-(2-oxopyrrolidin-1-yl)-3-(piperidin-1-yl)propan-2-yl]sulfanyl}quinazolin-4(3H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
117063-96-4- PubChem CID
- 63991
- DTXSID
DTXSID40922272
Properties
Computed structural properties
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 766
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Compound notes
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