3,4-dihydro-3-(piperidin-4-yl)quinazolin-2(1H)-one TFA

HCID 69187553
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Basic information

Standard SMILES
O=C(O)C(F)(F)F.O=C1Nc2ccccc2CN1C1CCNCC1
InChIKey
LFKFZUQHOKNJEQ-UHFFFAOYSA-N
Molecular formula
C15H18F3N3O3
Average molar mass
345.32 g/mol
Monoisotopic mass
345.13002593

Names & identifiers

Preferred name
3,4-dihydro-3-(piperidin-4-yl)quinazolin-2(1H)-one TFA
IUPAC
3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;2,2,2-trifluoroacetic acid

Names & synonyms

3,4-dihydro-3-(piperidin-4-yl)quinazolin-2(1H)-one TFASCHEMBL47820713,4-dihydro-3-(piperidin-4-yl)quinazolin-2(1H)-one TFA salt

Database identifiers

PubChem CID
69187553

Properties

Computed structural properties

Topological polar surface area
81.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
24

Related reactions

4 records
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Compound notes

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