4-Methyl-1-phenylquinolin-2(1H)-one - ≥97% , CAS No.2540-30-9

CAS: 2540-30-9 Cat. No.: M169062 Molecular Weight: 235.28 EC Number: 621-189-1

GRADE & PURITY ≥97%

Synonyms

SY100676 | 1,2-dihydro-4-methyl-1-phenyl-2-quinolone | ILKUVYJZEPVFHW-UHFFFAOYSA-N | 4-methyl-1-phenyl-quinolin-2-one | 4-methyl-1-phenylquinolin-2-one | 2(1H)-Quinolinone, 4-methyl-1-phenyl- | NSC109782 | NSC-109782 | 4-methyl-1-phenyl-1,2-dihydroquinoli

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SY100676 | 1, 2-dihydro-4-methyl-1-phenyl-2-quinolone | ILKUVYJZEPVFHW-UHFFFAOYSA-N | 4-methyl-1-phenyl-quinolin-2-one | 4-methyl-1-phenylquinolin-2-one | 2(1H)-Quinolinone, 4-methyl-1-phenyl- | NSC109782 | NSC-109782 | 4-methyl-1-phenyl-1, 2-dihydroquinoli

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)N(C2=CC=CC=C12)C3=CC=CC=C3
• IUPAC Name: 4-methyl-1-phenylquinolin-2-one
• InChIKey: ILKUVYJZEPVFHW-UHFFFAOYSA-N
• INCHI: 1S/C16H13NO/c1-12-11-16(18)17(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-11H,1H3
• Isomeric SMILES: CC1=CC(=O)N(C2=CC=CC=C12)C3=CC=CC=C3
• Molecular Weight: 235.28
• Reaxy-Rn: 167988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=167988&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Hydroquinolones Hydroquinolines Pyridinones Methylpyridines Benzene and substituted derivatives Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Dihydroquinolone - Dihydroquinoline - Methylpyridine - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 235.280 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 235.1 Da
• Monoisotopic Mass: 235.1 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 354.000
• 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