4-Isoquinolinecarboxylic acid, ethyl ester

CAS Registry Number®

50741-47-4

CAS Name

4-Isoquinolinecarboxylic acid, ethyl ester

Molecular Formula

C12H11NO2

Molecular Mass

201.22

Cite this Page

4-Isoquinolinecarboxylic acid, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50741-47-4 (retrieved 2024-11-22) (CAS RN: 50741-47-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    193-195 °C @ Press: 23 Torr

  • Melting Point (2)

    47-48 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11NO2/c1-2-15-12(14)11-8-13-7-9-5-3-4-6-10(9)11/h3-8H,2H2,1H3

InChIKey

InChIKey=HCDIGYUDSWUAFZ-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C2=C(C=NC1)C=CC=C2

Canonical SMILES

O=C(OCC)C1=CN=CC2=CC=CC=C21

Other Names for this Substance

  • 4-Isoquinolinecarboxylic acid, ethyl ester
  • Ethyl 4-isoquinolinecarboxylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration