1-(3-chlorobenzoylmethyl)-4-[3,4-dihydro-2(1H)-quinazolinon-3-yl]-piperidine

HCID 12797992

Basic information

Standard SMILES
O=C(CN1CCC(N2Cc3ccccc3NC2=O)CC1)c1cccc(Cl)c1
InChIKey
WNKYMGUPWYHVAJ-UHFFFAOYSA-N
Molecular formula
C21H22ClN3O2
Average molar mass
383.9 g/mol

Names & identifiers

Preferred name
1-(3-chlorobenzoylmethyl)-4-[3,4-dihydro-2(1H)-quinazolinon-3-yl]-piperidine
IUPAC
3-[1-[2-(3-chlorophenyl)-2-oxoethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

Names & synonyms

SCHEMBL11100103WNKYMGUPWYHVAJ-UHFFFAOYSA-N1-(3-Chlorobenzoylmethyl)-4-[3,4-dihydro-2(1H)-quinazolinon-3-yl]-piperidin1-(3-chlorobenzoylmethyl)-4-[3,4-dihydro-2(1H)-quinazolinon-3-yl]-piperidine

Database identifiers

PubChem CID
12797992

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
52.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
27

Related reactions

4 records

Compound notes

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