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Chemical structure of 3-arylisoquinolinamine derivative

GC33084

3-arylisoquinolinamine derivative

Also known as 3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine

3-arylisoquinolinamine derivative is a 3-arylisoquinolinamine derivative with antitumor activity

ChemicalCAS1029008-71-6MW293.36FormulaC18H19N3O
CAS number
1029008-71-6
Molecular weight
293.36
Formula
C18H19N3O
Solubility
DMSO ： ≥ 50 mg/mL (170·44 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
SSNNAZIMPALQIR-UHFFFAOYSA-N
Catalogue number
GC33084
Brand
GLPBIO
Computed properties PubChem CID 24801853 · XLogP 3.5 · TPSA 51.4 Ų · H-bond donors 1
XLogP
3.5
TPSA
51.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

SMILES CN(C)C1=CC2=C(N=C(C=C2C=C1)C3=CC(=CC=C3)OC)N

Computed descriptors from PubChem (CID 24801853), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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