7-Amino-6-methoxy-2-methyl-5,8-quinolinedione , CAS No.61895-38-3

CAS: 61895-38-3 Cat. No.: A668220 Peso molecular: 218.21

COA

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7-Amino-6-methoxy-2-methyl-5,8-quinolinedione - CAS No(61895-38-3) by Aladdin Scientific

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Disponible para pedir

Synonyms

7-Amino-6-methoxy-2-methyl-5,8-quinolinedione | 7-amino-6-methoxy-2-methylquinoline-5,8-dione | GMO1Z5C7GU | NSC132493 | MLS002701994 | UNII-GMO1Z5C7GU | NSC 132493 | NSC-132493 | SMR001565571 | NCIMech_000081 | cid_280616 | BDBM81245 | DTXSID40210909 | 5

Storage

Room temperature

Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

7-Amino-6-methoxy-2-methyl-5, 8-quinolinedione | 7-amino-6-methoxy-2-methylquinoline-5, 8-dione | GMO1Z5C7GU | NSC132493 | MLS002701994 | UNII-GMO1Z5C7GU | NSC 132493 | NSC-132493 | SMR001565571 | NCIMech_000081 | cid_280616 | BDBM81245 | DTXSID40210909 | 5

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

ALogP	0.8

Nombres e identificadores

Sonrisas canónicas	CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC
IUPAC Name	7-amino-6-methoxy-2-methylquinoline-5,8-dione
InChIKey	FKAAKWCKLUDXOB-UHFFFAOYSA-N
INCHI	1S/C11H10N2O3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,12H2,1-2H3
Isómeros SMILES	CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC
Peso molecular	218.21
Reaxy-Rn	395430
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=395430&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Quinolines and derivatives
    - Subclass Quinoline quinones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Quinolines and derivatives
Subclass	Quinoline quinones
Intermediate Tree Nodes	Not available
Direct Parent	Quinoline quinones
Alternative Parents	Hydroquinolines Aryl ketones Methylpyridines Vinylogous esters Vinylogous amides Heteroaromatic compounds Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline quinone - Dihydroquinoline - Aryl ketone - Methylpyridine - Pyridine - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Ketone - Enamine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as quinoline quinones. These are quinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
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)

NSD2 Tchem Histone-lysine N-methyltransferase NSD2 (1 Activities)

Discover Target: NSD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 Activities)

Discover Target: DNMT1

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

A498 (42825 Activities)

Peso molecular	218.210 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	218.069 Da
Monoisotopic Mass	218.069 Da
Topological Polar Surface Area	82.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	375.000
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