N-[4-((3aR,4S,7R,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenyl]-quinoline-8-carboxamide

HCID 86689413
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Basic information

Standard SMILES
O=C(Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1)c1cccc2cccnc12
InChIKey
HIXPKKKNIRIYNE-LPTDTENNSA-N
Molecular formula
C25H19N3O3
Average molar mass
409.4 g/mol
Monoisotopic mass
409.14264148

Names & identifiers

Preferred name
N-[4-((3aR,4S,7R,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenyl]-quinoline-8-carboxamide
IUPAC
N-[4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]quinoline-8-carboxamide

Names & synonyms

SCHEMBL15093131HIXPKKKNIRIYNE-LPTDTENNSA-NN-[4-((3aR,4S,7R,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenyl]-quinoline-8-carboxamide

Database identifiers

PubChem CID
86689413

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
79.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
31

Related reactions

1 records
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Compound notes

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