2-[4-(3-Dimethylamino-3-methyl-pyrrolidin-1-yl)-3-fluorophenyl]-6-[(R)-1-(tetrahydrofuran-2-yl)methoxy]-2H-isoquinolin-1-one

HCID 57916633
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Basic information

Standard SMILES
CN(C)C1(C)CCN(c2ccc(-n3ccc4cc(OC[C@H]5CCCO5)ccc4c3=O)cc2F)C1
InChIKey
JVVJDMUMGMEUIA-XVPAFAEQSA-N
Molecular formula
C27H32FN3O3
Average molar mass
465.6 g/mol

Names & identifiers

Preferred name
2-[4-(3-Dimethylamino-3-methyl-pyrrolidin-1-yl)-3-fluorophenyl]-6-[(R)-1-(tetrahydrofuran-2-yl)methoxy]-2H-isoquinolin-1-one
IUPAC
2-[4-[3-(dimethylamino)-3-methylpyrrolidin-1-yl]-3-fluorophenyl]-6-[[(2R)-oxolan-2-yl]methoxy]isoquinolin-1-one

Names & synonyms

SCHEMBL4298008JVVJDMUMGMEUIA-XVPAFAEQSA-N2-[4-(3-Dimethylamino-3-methyl-pyrrolidin-1-yl)-3-fluorophenyl]-6-[(R)-1-(tetrahydrofuran-2-yl)methoxy]-2H-isoquinolin-1-one

Database identifiers

PubChem CID
57916633

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
34

Related reactions

1 records
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Compound notes

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