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6-Methoxy-2-quinolinecarbonitrile - 97%, high purity , CAS No.5467-79-8

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6-Methoxy-2-quinolinecarbonitrile - 97%, high purity , CAS No.5467-79-8

COA

Grade & Purity:

≥97%

Cas Number: 5467-79-8
Molecular Weight: 184.19
MDL number: MFCD00023938
PubChem CID: 230481

In stock

Item Number

M469338

Grouped product items
SKU	Size	Availability	Price
M469338-250mg	250mg	3	$120.90
M469338-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$333.90
M469338-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,133.90

Basic Description

Synonyms	6-Methoxy-2-quinolinecarbonitrile, 97% \| 2-Cyano-6-methoxyquinoline \| 6-Methoxy-quinoline-2-carbonitrile \| 6-methoxyquinoline-2-carbonitrile \| SB67550 \| BDBM50195864 \| Z204020258 \| AB01328499-02 \| SCHEMBL906879 \| AKOS009098554 \| SR-02000001213-1 \| DTXSID3
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Quinolines and derivatives
Alternative Parents	Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NQO1 Tchem Quinone reductase 1 (1746 Activities)

Discover Target: NQO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PADI4 Tchem Protein-arginine deiminase type-4 (309 Activities)

Discover Target: PADI4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PADI1 Tchem Protein-arginine deiminase type-1 (130 Activities)

Discover Target: PADI1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PADI2 Tchem Protein-arginine deiminase type-2 (138 Activities)

Discover Target: PADI2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	6-methoxyquinoline-2-carbonitrile
INCHI	InChI=1S/C11H8N2O/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11/h2-6H,1H3
InChIKey	MOBUAKGGKVGTIE-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C=C1)N=C(C=C2)C#N
Isomeric SMILES	COC1=CC2=C(C=C1)N=C(C=C2)C#N
Molecular Weight	184.19
Reaxy-Rn	142715
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142715&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
K2323346	Certificate of Analysis	Nov 10, 2023	M469338
K2323347	Certificate of Analysis	Nov 10, 2023	M469338
K2323348	Certificate of Analysis	Nov 10, 2023	M469338

Chemical and Physical Properties

Melt Point(°C)	175-179 °C
Molecular Weight	184.190 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	184.064 Da
Monoisotopic Mass	184.064 Da
Topological Polar Surface Area	45.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	245.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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