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
- Formal charge
- 0
- Complexity
- 550
Related reactions
4 records
Compound notes
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