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4-hydroxy-1-phenyl-3-(3-trifluoromethylphenylacetyl)-1,8-naphthyridin-2(1H)-one

HCID 68947320
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cc1cccc(C(F)(F)F)c1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIKey
DZLAWEXWOIZUTD-UHFFFAOYSA-N
Molecular formula
C23H15F3N2O3
Average molar mass
424.4 g/mol
Monoisotopic mass
424.10347683

Names & identifiers

Preferred name
4-hydroxy-1-phenyl-3-(3-trifluoromethylphenylacetyl)-1,8-naphthyridin-2(1H)-one
IUPAC
4-hydroxy-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]acetyl]-1,8-naphthyridin-2-one

Names & synonyms

4-hydroxy-1-phenyl-3-(3-trifluoromethylphenylacetyl)-1,8-naphthyridin-2(1H)-oneSCHEMBL4185752

Database identifiers

PubChem CID
68947320

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
70.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
31
Formal charge
0
Complexity
730

Related reactions

2 records
New reaction record
HRID 217367 reaction equation
HRID 217367As productuspto-grants-2012_06
HRID 2131464 reaction equation
HRID 2131464As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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