Ethyl Benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate - ≥95% , CAS No.101192-30-7

CAS: 101192-30-7 Cat. No.: E332021 Molecular Weight: 267.28

GRADE & PURITY ≥95%

Synonyms

DTXSID60392175 | SCHEMBL10740535 | FT-0668162 | 1H-Benzo[c]quinolizine-2-carboxylic acid, 1-oxo-, ethyl ester | HY-D1488 | ETHYL 1-OXO-1H-PYRIDO[1,2-A]QUINOLINE-2-CARBOXYLATE | ethyl 1-oxobenzo[c]quinolizine-2-carboxylate | Ethyl Benzo[6,7]-4-oxo-4H-quino

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ethyl Benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate is a selective fluorophore which shows a strong fluorescent response to Magesium.

Specifications

Synonyms

DTXSID60392175 | SCHEMBL10740535 | FT-0668162 | 1H-Benzo[c]quinolizine-2-carboxylic acid, 1-oxo-, ethyl ester | HY-D1488 | ETHYL 1-OXO-1H-PYRIDO[1, 2-A]QUINOLINE-2-CARBOXYLATE | ethyl 1-oxobenzo[c]quinolizine-2-carboxylate | Ethyl Benzo[6, 7]-4-oxo-4H-quino

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488194385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194385
• Canonical Smiles: CCOC(=O)C1=CC=C2C=CC3=CC=CC=C3N2C1=O
• IUPAC Name: ethyl 1-oxobenzo[c]quinolizine-2-carboxylate
• InChIKey: YISZIUALHMRHMU-UHFFFAOYSA-N
• INCHI: 1S/C16H13NO3/c1-2-20-16(19)13-10-9-12-8-7-11-5-3-4-6-14(11)17(12)15(13)18/h3-10H,2H2,1H3
• Isomeric SMILES: CCOC(=O)C1=CC=C2C=CC3=CC=CC=C3N2C1=O
• Molecular Weight: 267.28
• Reaxy-Rn: 13478096
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13478096&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: Pyridinecarboxylic acids Pyridinones Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Melt Point(°C): 106-108°C
• Molecular Weight: 267.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 267.09 Da
• Monoisotopic Mass: 267.09 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 530.000
• 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. Qiangfei Su, Jian Wang, Yu Song, Zhaowenbin Zhang, Bo Cai, Xiakeerzhati Xiaohalati, Jingwei Liu, Haozhe Li, Zheng Wang, Jiang Chang, Lin Wang.  (2025)  Bioactive Silk Sericin/Bioceramic Nerve Guidance Conduit for Effective Repair of Long-Gap Transected Peripheral Nerve Injury through Regulating Schwann Cells.  Advanced Science,      [PMID:40624945] [10.1002/advs.202507241]