Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Quinolines and derivatives
Subclass	Haloquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Chloroquinolines
Alternative Parents	Anisoles Alkyl aryl ethers 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - Anisole - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
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

Estructura 3D

Objetivos asociados (humanos)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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

ERG Tbio Transcriptional regulator ERG (5589 Activities)

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

Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Fecha	Articulo
B2603089	Certificate of Analysis	Feb 25, 2026	C169648
C2006141	Certificate of Analysis	Dec 14, 2023	C169648
L2220062	Certificate of Analysis	Jan 06, 2023	C169648

Propiedades químicas y físicas

Peso molecular	223.650 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	223.04 Da
Monoisotopic Mass	223.04 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	215.000
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

Calculadoras de soluciones

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Reseñas

Pubchem Sid	488191591
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191591
Sonrisas canónicas	COC1=CC2=NC(=C(C=C2C=C1)CO)Cl
IUPAC Name	(2-chloro-7-methoxyquinolin-3-yl)methanol
InChIKey	VZILTDJTOMNDTH-UHFFFAOYSA-N
INCHI	1S/C11H10ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-5,14H,6H2,1H3
Isómeros SMILES	COC1=CC2=NC(=C(C=C2C=C1)CO)Cl
WGK Alemania	3
Peso molecular	223.66
Reaxy-Rn	19382544
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19382544&ln=

2-Chloro-7-methoxyquinoline-3-methanol - ≥98% , CAS No.333408-48-3

Specifications