CAS 1198-37-4 | Quinoline, 2,4-dimethyl- | CAS Number 1198-37-4

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1198-37-4 | Quinoline, 2,4-dimethyl-

CAS No: 1198-37-4 Catalog No: AG000PNY MDL No:MFCD00006760

Product Description

Catalog Number:

AG000PNY

Chemical Name:

Quinoline, 2,4-dimethyl-

CAS Number:

1198-37-4

Molecular Formula:

C11H11N

Molecular Weight:

157.2117

MDL Number:

MFCD00006760

IUPAC Name:

2,4-dimethylquinoline

InChI:

InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3

InChI Key:

ZTNANFDSJRRZRJ-UHFFFAOYSA-N

SMILES:

Cc1cc(C)c2c(n1)cccc2

EC Number:

214-832-9

UNII:

7JL3KN3WTD

NSC Number:

62132

Properties

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.216g/mol

Monoisotopic Mass:

157.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.	European journal of medicinal chemistry 20090501
Design and synthesis of novel sulfonamide-containing bradykinin hB2 receptor antagonists. 1. Synthesis and SAR of alpha,alpha-dimethylglycine sulfonamides.	Journal of medicinal chemistry 20060615
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.	Journal of medicinal chemistry 20050602
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.	Journal of medicinal chemistry 20050127