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

HCID 68990366
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Basic information

Standard SMILES
O=C1c2ccc(O)cc2CCN1c1ccc(N2CC[C@]3(CCN(CCCF)C3)C2)cc1
InChIKey
ZRFVJBSAADGUBZ-VWLOTQADSA-N
Molecular formula
C25H30FN3O2
Average molar mass
423.5 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-3,4-dihydro-2H-isoquinolin-1-one
IUPAC
2-[4-[(5S)-7-(3-fluoropropyl)-2,7-diazaspiro[4.4]nonan-2-yl]phenyl]-6-hydroxy-3,4-dihydroisoquinolin-1-one

Names & synonyms

SCHEMBL4292640ZRFVJBSAADGUBZ-VWLOTQADSA-N2-{4-[(S)-7-(3-Fluoro-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one

Database identifiers

PubChem CID
68990366

Properties

Computed structural properties

XLogP
3.9
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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Compound notes

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2-{4-[(S)-7-(3-Fluoro-propyl)-2,7-diaza-spiro[4.4]non-2-yl]-phenyl}-6-hydroxy-3,4-dihydro-2H-isoquinolin-1-one (HCID 68990366)｜Huagongshe