5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one - ≥95% , CAS No.18735-98-3

CAS: 18735-98-3 Cat. No.: D1363069 Molecular Weight: 234.26 PubChem CID: 2784881

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4NC3=O
• IUPAC Name: 5,11-dihydroindolo[3,2-c]quinolin-6-one
• InChIKey: KHHVLPFHXHKOEJ-UHFFFAOYSA-N
• INCHI: 1S/C15H10N2O/c18-15-13-9-5-1-3-7-11(9)16-14(13)10-6-2-4-8-12(10)17-15/h1-8,16H,(H,17,18)
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4NC3=O
• PubChem CID: 2784881
• Molecular Weight: 234.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Indoloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoloquinolines
• Alternative Parents: Pyrrolo[3,2-c]quinolines Gamma carbolines Hydroquinolones Hydroquinolines Pyrrolopyridines Indoles Pyridinones Benzenoids Vinylogous amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indoloquinoline - Gamma-carboline - Pyrrolo[3,2-c]quinoline - Pyrroloquinoline - Dihydroquinolone - Dihydroquinoline - Indole - Indole or derivatives - Pyrrolopyridine - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.
• 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

• Melt Point(°C): 379-381°
• Molecular Weight: 234.250 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 234.079 Da
• Monoisotopic Mass: 234.079 Da
• Topological Polar Surface Area: 44.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 356.000
• 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