Pyroquilon - analytical standard , CAS No.57369-32-1

CAS: 57369-32-1 Cat. No.: P114454 분자식: C₁₁H₁₁NO 분자량: 173.21 EC 번호: 611-516-6

GRADE & PURITY Analytical standard

Synonyms

TQR0274 | 4-Oxolilidine | 4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 1,2,5,6-tetrahydro- | CGA 49104 | o-bromo(trifluoromethoxy)benzene | MFCD01320763 | Pyroquilon, PESTANAL(R), analytical standard | 4H-Pyrrolo(3,2,1-ij)quinolin-4-one, 1,2,5,6-tetrahydro- | BRN

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

TQR0274 | 4-Oxolilidine | 4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 1,2,5,6-tetrahydro- | CGA 49104 | o-bromo(trifluoromethoxy)benzene | MFCD01320763 | Pyroquilon, PESTANAL(R), analytical standard | 4H-Pyrrolo(3,2,1-ij)quinolin-4-one, 1,2,5,6-tetrahydro- | BRN

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• Pubchem Sid: 528773702
• 정식 스마일: C1CC(=O)N2CCC3=CC=CC1=C32
• IUPAC Name: 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
• InChIKey: XRJLAOUDSILTFT-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
• 이성체 SMILES: C1CC(=O)N2CCC3=CC=CC1=C32
• WGK 독일: 2
• RTECS: UY9480000
• 분자량: 173.21
• Reaxy-Rn: 1455831
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1455831&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Indoles and derivatives Benzenoids Tertiary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinolone - Tetrahydroquinoline - Indole or derivatives - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
• External Descriptors: Pesticides

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

관련 대상(인간)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 173.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.084 Da
• Monoisotopic Mass: 173.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 238.000
• 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