8-Methyl-3-((methyl(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)methyl)-2-o-tolylisoquinolin-1(2H)-one

HCID 58008570

Basic information

Standard SMILES
Cc1ccccc1-n1c(CN(C)c2ncnc3c2ncn3C2CCCCO2)cc2cccc(C)c2c1=O
InChIKey
NNKJXBFIVXXKPJ-UHFFFAOYSA-N
Molecular formula
C29H30N6O2
Average molar mass
494.6 g/mol
Monoisotopic mass
494.24302422

Names & identifiers

Preferred name
8-Methyl-3-((methyl(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)methyl)-2-o-tolylisoquinolin-1(2H)-one
IUPAC
8-methyl-3-[[methyl-[9-(oxan-2-yl)purin-6-yl]amino]methyl]-2-(2-methylphenyl)isoquinolin-1-one

Names & synonyms

SCHEMBL934788SCHEMBL29479403NNKJXBFIVXXKPJ-UHFFFAOYSA-N8-Methyl-3-((methyl(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)amino)methyl)-2-o-tolylisoquinolin-1(2H)-one

Database identifiers

PubChem CID
58008570

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
76.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
37

Related reactions

15 records

Compound notes

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