4-Quinolinecarboxaldehyde - ≥97% , CAS No.4363-93-3

CAS: 4363-93-3 Cat. No.: Q123539 Molecular Weight: 157.17 Beilstein Registry Number: 113072 EC Number: 224-453-0 PubChem CID: 78072

GRADE & PURITY ≥97%

Synonyms

4quinolinecarboxaldehyde | 4-Quinolinecarboxaldehyde | AKOS000270282 | NSC 1213 | NCGC00188133-01 | SCHEMBL333756 | J-524189 | MFCD00039411 | DTXSID9047120 | PS-8826 | Cinchoninaldehyde | Z274555868 | 4-QUINOLINYL ALDEHYDE | DTXSID1047578 | J-803022 | Q00

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4-Quinolinecarboxaldehyde(cinchoninaldehyde) was used in the synthesis of lepidylamines.

Specifications

Synonyms

4quinolinecarboxaldehyde | 4-Quinolinecarboxaldehyde | AKOS000270282 | NSC 1213 | NCGC00188133-01 | SCHEMBL333756 | J-524189 | MFCD00039411 | DTXSID9047120 | PS-8826 | Cinchoninaldehyde | Z274555868 | 4-QUINOLINYL ALDEHYDE | DTXSID1047578 | J-803022 | Q00

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185506
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185506
• Canonical Smiles: C1=CC=C2C(=C1)C(=CC=N2)C=O
• IUPAC Name: quinoline-4-carbaldehyde
• InChIKey: MGCGJBXTNWUHQE-UHFFFAOYSA-N
• INCHI: 1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=O
• WGK Germany: 3
• PubChem CID: 78072
• Molecular Weight: 157.17
• Beilstein: 113072
• Reaxy-Rn: 113072

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridine carboxaldehydes Aryl-aldehydes Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - 4-pyridine carboxaldehyde - Aryl-aldehyde - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

HepG2 (196354 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Air Sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): >110°C(230°F)
• Boil Point(°C): 123°C/4mmHg
• Melt Point(°C): 48-52°C
• Molecular Weight: 157.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.053 Da
• Monoisotopic Mass: 157.053 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• 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

References

1. Li Fan, Ming Nan, Jinyin Ge, Xiaodong Wang, Bo Lin, Wenjia Zhang, Shaomin Shuang, Chuan Dong.  (2018)  Imaging of lysosomal pH changes with a novel quinoline/benzothiazole probe.  NEW JOURNAL OF CHEMISTRY,  42  (16): (13479-13485).  [PMID:] [10.1039/C8NJ02455C]