2-{4-[(S)-7-(3-Fluoro-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-6-hydroxy-2H-isoquinolin-1-one

HCID 68991663
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Basic information

Standard SMILES
O=c1c2ccc(O)cc2ccn1-c1ccc(N2CC[C@]3(CCN(CCCF)C3)C2)cc1
InChIKey
QWEMBEPGKXDUIE-VWLOTQADSA-N
Molecular formula
C25H28FN3O2
Average molar mass
421.5 g/mol

Names & identifiers

Preferred name
2-{4-[(S)-7-(3-Fluoro-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-6-hydroxy-2H-isoquinolin-1-one
IUPAC
2-[4-[(5S)-7-(3-fluoropropyl)-2,7-diazaspiro[4.4]nonan-2-yl]phenyl]-6-hydroxyisoquinolin-1-one

Names & synonyms

SCHEMBL4295778QWEMBEPGKXDUIE-VWLOTQADSA-N2-{4-[(S)-7-(3-Fluoro-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-6-hydroxy-2H-isoquinolin-1-one

Database identifiers

PubChem CID
68991663

Properties

Computed structural properties

XLogP
4
Topological polar surface area
47 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
31

Related reactions

1 records
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Linked notes

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