6-Amino-5,8-dimethylisoquinolin-1(2H)-one - CAS 69022-58-8

Catalog:	BB033669
Product Name:	6-Amino-5,8-dimethylisoquinolin-1(2H)-one
CAS:	69022-58-8
Synonyms:	6-amino-5,8-dimethyl-2H-isoquinolin-1-one; 6-amino-5,8-dimethyl-2H-isoquinolin-1-one

Technical Data

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Computed Properties

IUPAC Name:	6-amino-5,8-dimethyl-2H-isoquinolin-1-one
Description:	6-Amino-5,8-dimethylisoquinolin-1(2H)-one (CAS# 69022-58-8 ) is a useful research chemical.
Molecular Weight:	188.23
Molecular Formula:	C11H12N2O
Canonical SMILES:	CC1=CC(=C(C2=C1C(=O)NC=C2)C)N
InChI:	InChI=1S/C11H12N2O/c1-6-5-9(12)7(2)8-3-4-13-11(14)10(6)8/h3-5H,12H2,1-2H3,(H,13,14)
InChI Key:	FSWZDUYIMSONEO-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CA-2677877-A1	New indole derivative compounds and pharmaceutical compositions containing the same	20070219
CA-2677877-C	New indole derivative compounds and pharmaceutical compositions containing the same	20070219
EP-2121685-A2	New indole derivative compounds and pharmaceutical compositions containing the same	20070219
EP-2121685-B1	New indole derivative compounds and pharmaceutical compositions containing the same	20070219
ES-2569478-T3	New compounds derived from indole and pharmaceutical compositions containing them	20070219

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Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.094963011
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.094963011
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4