N,N'-bis(6-methoxy-2-methylquinolin-4-yl)nonane-1,9-diamine , CAS No.6286-09-5

CAS: 6286-09-5 Cat. No.: N968879 Molecular Weight: 500.700

Storage

Room temperature

Specifications

Storage

Room temperature

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC1=CC(=C2C=C(C=CC2=N1)OC)NCCCCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)OC
• IUPAC Name: N,N'-bis(6-methoxy-2-methylquinolin-4-yl)nonane-1,9-diamine
• InChIKey: SGXXUOLJJPFQKG-UHFFFAOYSA-N
• INCHI: 1S/C31H40N4O2/c1-22-18-30(26-20-24(36-3)12-14-28(26)34-22)32-16-10-8-6-5-7-9-11-17-33-31-19-23(2)35-29-15-13-25(37-4)21-27(29)31/h12-15,18-21H,5-11,16-17H2,1-4H3,(H,32,34)(H,33,35)
• Molecular Weight: 500.700

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Anisoles Secondary alkylarylamines Methylpyridines Aminopyridines and derivatives Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Anisole - Alkyl aryl ether - Aminopyridine - Methylpyridine - Secondary aliphatic/aromatic amine - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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: 500.700 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 500.315 Da
• Monoisotopic Mass: 500.315 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 584.000
• 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