Nequinate

CAS Registry Number®

13997-19-8

CAS Name

Nequinate

Molecular Formula

C22H23NO4

Molecular Mass

365.42

Cite this Page

Nequinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13997-19-8 (retrieved 2024-11-22) (CAS RN: 13997-19-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    287.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)

InChIKey

InChIKey=NNOPDLNHPOLRRE-UHFFFAOYSA-N

SMILES

O=C1C=2C(=CC(OCC3=CC=CC=C3)=C(CCCC)C2)NC=C1C(OC)=O

Canonical SMILES

O=C(OC)C1=CNC2=CC(OCC=3C=CC=CC3)=C(C=C2C1=O)CCCC

Other Names for this Substance

  • 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
  • 3-Quinolinecarboxylic acid, 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-, methyl ester
  • Methyl benzoquate
  • Methyl 7-(benzyloxy)-6-n-butyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
  • Nequinate

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Deleted or Replaced CAS Registry Numbers

55353-14-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration