CAS 93-37-8 | 2,7-DIMETHYLQUINOLINE | CAS Number 93-37-8

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93-37-8 | 2,7-DIMETHYLQUINOLINE

CAS No: 93-37-8 Catalog No: AG0063O6 MDL No:MFCD00006763

Product Description

Catalog Number:

AG0063O6

Chemical Name:

2,7-DIMETHYLQUINOLINE

CAS Number:

93-37-8

Molecular Formula:

C11H11N

Molecular Weight:

157.2117

MDL Number:

MFCD00006763

IUPAC Name:

2,7-dimethylquinoline

InChI:

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

InChI Key:

QXKPLNCZSFACPU-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)nc(cc2)C

EC Number:

202-242-4

NSC Number:

5240

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
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