5-Hydroxyquinoline - ≥99% , CAS No.578-67-6

CAS: 578-67-6 Cat. No.: H120008 Formula: C₉H₇NO Molecular Weight: 145.16 Beilstein Registry Number: 114514 EC Number: 209-428-4

GRADE & PURITY ≥99%

Synonyms

A26231 | AC-5221 | 5Q0 | FT-0620497 | Q26841198 | L-Carnithine Tartrate | NSC 405729 | BDBM50182407 | dimethyl-sulfoxyde | Quinolin-5-ol | Q27098403 | NSC405729 | NSC-405729 | SB67580 | AO-801/41077389 | PJ4M78J3XW | BBL100329 | Ethanolamine, AR, 99% | 5-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

5-Quinolinol (5-Hydroxyquinoline) was used as an internal standard in the reaction to measure morphine concentration in serum or plasma. It was also used as a lipophilic chelator and it decreased the rate of deoxygenation

Specifications

Synonyms

A26231 | AC-5221 | 5Q0 | FT-0620497 | Q26841198 | L-Carnithine Tartrate | NSC 405729 | BDBM50182407 | dimethyl-sulfoxyde | Quinolin-5-ol | Q27098403 | NSC405729 | NSC-405729 | SB67580 | AO-801/41077389 | PJ4M78J3XW | BBL100329 | Ethanolamine, AR, 99% | 5-

Specifications & Purity

≥99%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488202900
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202900
• Canonical Smiles: C1=CC2=C(C=CC=N2)C(=C1)O
• IUPAC Name: quinolin-5-ol
• InChIKey: GYESAYHWISMZOK-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
• Isomeric SMILES: C1=CC2=C(C=CC=N2)C(=C1)O
• WGK Germany: 3
• RTECS: VC4100000
• Molecular Weight: 145.16
• Beilstein: 114514
• Reaxy-Rn: 114514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114514&ln=

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: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: monohydroxyquinoline

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)

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

Skin (286 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

• Sensitivity: light sensitive&air sensitive
• Melt Point(°C): 223-226°C
• Molecular Weight: 145.160 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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