4-chloro-7-methoxyquinoline-6-carboxamide - ≥97% , CAS No.417721-36-9

CAS: 417721-36-9 Cat. No.: C176449 Peso molecular: 236.66 Número EC: 992-196-8

GRADE & PURITY ≥97%

Synonyms

DS-8955 | 4-chloro-7-methoxyquinoline-6-carboxylic acid amide | DTXSID10629105 | 4-chloro-7-methoxyquinoline-6-carboxamide | P11654 | MFCD13192256 | AKOS025146814 | FT-0700528 | SY060398 | AKOS032949975 | AMY474 | AC-30101 | 7-methoxy-4-chloro-quinoline-6

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-8955 | 4-chloro-7-methoxyquinoline-6-carboxylic acid amide | DTXSID10629105 | 4-chloro-7-methoxyquinoline-6-carboxamide | P11654 | MFCD13192256 | AKOS025146814 | FT-0700528 | SY060398 | AKOS032949975 | AMY474 | AC-30101 | 7-methoxy-4-chloro-quinoline-6

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504769326
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769326
• Sonrisas canónicas: COC1=CC2=NC=CC(=C2C=C1C(=O)N)Cl
• IUPAC Name: 4-chloro-7-methoxyquinoline-6-carboxamide
• InChIKey: ZBTVNIDMGKZSGC-UHFFFAOYSA-N
• INCHI: 1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)
• Isómeros SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)Cl
• CAS alternativo: 417721-36-9
• Peso molecular: 236.66
• Reaxy-Rn: 11407216
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11407216&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxamides
• Alternative Parents: Chloroquinolines Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-6-carboxamide - Haloquinoline - Chloroquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.
• 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

Propiedades químicas y físicas

• Peso molecular: 236.650 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 236.035 Da
• Monoisotopic Mass: 236.035 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 275.000
• 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