Name: Name:3-Methylisoquinoline
Brand: AABLOCKS
SKU: AA007SUJ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA007SUJ

Chemical Name: 3-Methylisoquinoline

CAS Number: 1125-80-0

Molecular Formula: C10H9N

Molecular Weight: 143.1852

MDL Number: MFCD00024139

SMILES: Cc1ncc2c(c1)cccc2

Properties

Complexity: 133

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 1

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.7

Literature fold

Title: Redetermination of 3-methyl-isoquinoline at 150 K.

Journal: Acta crystallographica. Section E, Structure reports online20101101

Title: (2-Amino-5-chloro-benzene-sulfonato-κO)bis-(3-methyl-isoquinoline-κN)silver(I).

Journal: Acta crystallographica. Section E, Structure reports online20100401

Title: Influence of anionic sulfonate-containing and nitrogen-containing mixed-ligands on the structures of silver coordination polymers.

Journal: Dalton transactions (Cambridge, England : 2003)20090507

Title: Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.

Journal: European journal of medicinal chemistry20090501

Title: Aqua-(3-methyl-isoquinoline-κN)silver(I) 4-amino-benzene-sulfonate.

Journal: Acta crystallographica. Section E, Structure reports online20080101

Title: Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

Journal: Journal of medicinal chemistry20050602

Title: Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

Journal: Journal of medicinal chemistry20050127

Title: Microbial production of isoquinoline from indene.

Journal: Canadian journal of microbiology20031101

1125-80-0 | 3-Methylisoquinoline