7-{4-[4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-butoxy}-5-trifluoromethyl-3,4-dihydro-1H-[1,8]naphthyridin-2-one

HCID 21073705
NotesReactions
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Basic information

Standard SMILES
O=C1CCc2c(C(F)(F)F)cc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1
InChIKey
PSXHUMVPAXNDBR-UHFFFAOYSA-N
Molecular formula
C27H33F3N4O2
Average molar mass
502.6 g/mol
Monoisotopic mass
502.25556079

Names & identifiers

Preferred name
7-{4-[4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-butoxy}-5-trifluoromethyl-3,4-dihydro-1H-[1,8]naphthyridin-2-one
IUPAC
7-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-5-(trifluoromethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

Names & synonyms

7-{4-[4-(5,6,7,8-Tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-butoxy}-5-trifluoromethyl-3,4-dihydro-1H-[1,8]naphthyridin-2-oneSCHEMBL5374800

Database identifiers

PubChem CID
21073705

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
57.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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