6-Ethoxy-4-hydroxyquinoline-3-carboxylic acid - ≥97% , CAS No.303121-10-0

CAS: 303121-10-0 Cat. No.: E348868 Formula: C₁₂H₁₁NO₄ Peso molecolare: 233.23

GRADE & PURITY ≥97%

Synonyms

MFCD02217683 | DTXSID50349456 | SCHEMBL2010976 | 6-ETHOXY-4-HYDROXY-3-QUINOLINECARBOXYLIC ACID | MFCD05228448 | Oprea1_573935 | 6-Ethoxy-4-hydroxy-3-quinolinecarboxylic acid, AldrichCPR | AB11574 | 6-ethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | A

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

MFCD02217683 | DTXSID50349456 | SCHEMBL2010976 | 6-ETHOXY-4-HYDROXY-3-QUINOLINECARBOXYLIC ACID | MFCD05228448 | Oprea1_573935 | 6-Ethoxy-4-hydroxy-3-quinolinecarboxylic acid, AldrichCPR | AB11574 | 6-ethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | A

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488190986

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190986

Sorrisi canonici

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)O

IUPAC Name

6-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid

InChIKey

FRMATZBTAXOKFT-UHFFFAOYSA-N

INCHI

1S/C12H11NO4/c1-2-17-7-3-4-10-8(5-7)11(14)9(6-13-10)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)

Isomeri SMILES

CCOC1=CC2=C(C=C1)NC=C(C2=O)C(=O)O

Peso molecolare

233.23

Reaxy-Rn

10671118

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10671118&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Alkyl aryl ethers Benzenoids Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Obiettivi associati (umani)

HepG2 (196354 Activities)

Explore this target

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 233.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.069 Da
• Monoisotopic Mass: 233.069 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 364.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 303121-10-0, the molecular formula is C12H11NO4, and the molecular weight is 233.23 g/mol. InChIKey FRMATZBTAXOKFT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.