6-Methoxy-2-Methyl-1H-Benz[de]Isoquinoline-1,3(2H)-Dione - ≥97% , CAS No.3271-05-4

CAS: 3271-05-4 Cat. No.: M303453 Molecular Weight: 241.24

GRADE & PURITY ≥97%

Synonyms

Mikawhite AT | Fluorescent Brightening Agent 162 | 4-methoxy-n-methyl-1,8-naphthalimide | C.I. 56190 | C.I. Fluorescent Brightener 162 | AKOS022184351 | Mikawhite AT CONC | 1H-Benz(de)isoquinoline-1,3(2H)-dione, 6-methoxy-2-methyl- | CNUWYNDMLFVRBU-UHFFFA

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Mikawhite AT | Fluorescent Brightening Agent 162 | 4-methoxy-n-methyl-1, 8-naphthalimide | C.I. 56190 | C.I. Fluorescent Brightener 162 | AKOS022184351 | Mikawhite AT CONC | 1H-Benz(de)isoquinoline-1, 3(2H)-dione, 6-methoxy-2-methyl- | CNUWYNDMLFVRBU-UHFFFA

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488182495
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182495
• Canonical Smiles: CN1C(=O)C2=C3C(=C(C=C2)OC)C=CC=C3C1=O
• IUPAC Name: 6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione
• InChIKey: CNUWYNDMLFVRBU-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO3/c1-15-13(16)9-5-3-4-8-11(18-2)7-6-10(12(8)9)14(15)17/h3-7H,1-2H3
• Isomeric SMILES: CN1C(=O)C2=C3C(=C(C=C2)OC)C=CC=C3C1=O
• Molecular Weight: 241.24
• Reaxy-Rn: 1534374
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1534374&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Naphthalenes Anisoles Pyridinones Alkyl aryl ethers Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Naphthalene - Anisole - Alkyl aryl ether - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• External Descriptors: Not available

Data sources

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)

LAPC4 (305 Activities)

Explore this target

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

PRMT1 Tchem Protein-arginine N-methyltransferase 1 (867 Activities)

Discover Target: PRMT1

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 241.240 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 241.074 Da
• Monoisotopic Mass: 241.074 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 381.000
• 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