4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride

HCID 63186

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Basic information

CAS: 117039-00-6
Standard SMILES: Cc1ccc(-n2c(SC(CN3CCCCC3)CN3CCCC3=O)nc3ccccc3c2=O)cc1.Cl
InChIKey: ZIVUXXWXPYSGBW-UHFFFAOYSA-N
Molecular formula: C27H33ClN4O2S
Average molar mass: 513.1 g/mol
Monoisotopic mass: 512.2012752

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride
IUPAC: 3-(4-methylphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one;hydrochloride

Names & synonyms

117039-00-64(3H)-Quinazolinone, 3-(4-methylphenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochlorideRefChem:284102DTXSID709222603-(4-Methylphenyl)-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: 117039-00-6
PubChem CID: 63186
DTXSID: DTXSID70922260

Properties

Computed structural properties

Topological polar surface area: 81.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 760

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