4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoquinolin-1(2H)-one

Base Information

• Chemical Name: 4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoquinolin-1(2H)-one
• CAS No.: 651029-09-3
• Molecular Formula: C18H18N2O2
• DSSTox Substance ID: DTXSID30431661
• Wikidata: Q82245604
• Pharos Ligand ID: THL481K7JX63
• ChEMBL ID: CHEMBL1171806
• Mol file: 651029-09-3.mol

Synonyms:651029-09-3;KCL-440;4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoquinolin-1(2H)-one;CHEMBL1171806;4-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-2H-isoquinolin-1-one;1,2-Dihydro-4-[4-(dimethylaminomethyl)phenyl]-5-hydroxy-1-oxoisoquinoline;[1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperidin-4-yl]methyl 4-amino-5-chloro-2-methoxybenzoate;kcl440;SCHEMBL4154686;DTXSID30431661;BDBM50322364;HY-15050;CS-0003723

Chemical Property of 4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoquinolin-1(2H)-one

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 294.136827821
• Heavy Atom Count: 22
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(C=C1)C2=CNC(=O)C3=C2C(=CC=C3)O