structure of Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate

Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate

CAS No.: 1000045-93-1
M. Wt: 205.210
M. Fa: C11H11NO3
InChI Key: BUGJUSPLIAWGKT-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000045-93-1

CAS Number

1000045-93-1

MDL Number

MFCD24387120

IUPAC Name

methyl 2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate

InChI

InChI=1S/C11H11NO3/c1-15-11(14)8-3-2-7-4-5-10(13)12-9(7)6-8/h2-3,6H,4-5H2,1H3,(H,12,13)

InChIKey

BUGJUSPLIAWGKT-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=CC2=C(CCC(=O)N2)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000045-93-1

Boiling Point

402.4±45.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

205.073898

Flash Point

197.2±28.7 °C

Index of Refraction

1.557

LogP

1.72

Molecular Formula

C11H11NO3

Molecular Weight

205.210

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 1000045-93-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000045-93-1

Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate finds applications in various fields:

  • Pharmaceuticals: Due to its biological activities, it is being explored as a lead compound for developing new antimicrobial and anticancer drugs.
  • Chemical Research: It serves as an intermediate in organic synthesis for creating more complex heterocyclic compounds.

Interaction Studies of 1000045-93-1

Interaction studies have revealed that methyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate interacts with several biological targets:

  • Enzyme Interactions: It has been shown to inhibit specific enzymes involved in drug metabolism, which could impact pharmacokinetics and drug-drug interactions.
  • Binding Affinity Studies: Molecular docking studies suggest favorable binding interactions with proteins relevant to cancer treatment pathways.

Biological Activity of 1000045-93-1

Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate exhibits significant biological activities:

  • Antimicrobial Properties: Studies have indicated that this compound may possess antimicrobial effects against various pathogens.
  • Anticancer Activity: Preliminary research suggests potential anticancer properties, making it a candidate for further pharmacological studies.
  • Enzyme Inhibition: The compound has been identified as an inhibitor of certain cytochrome P450 enzymes, which are crucial in drug metabolism.