Ethyl 6-methoxyquinoline-4-carboxylate
PubChem CID
219907
Structure
Molecular Formula
Synonyms
- ethyl 6-methoxyquinoline-4-carboxylate
- 5345-57-3
- NSC1709
- Oprea1_537958
- SCHEMBL2544566
Molecular Weight
231.25 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-26
- Modify:2025-01-25
Chemical Structure Depiction
ethyl 6-methoxyquinoline-4-carboxylate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C13H13NO3/c1-3-17-13(15)10-6-7-14-12-5-4-9(16-2)8-11(10)12/h4-8H,3H2,1-2H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
AMTCPYGXTNRQQZ-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCOC(=O)C1=C2C=C(C=CC2=NC=C1)OC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H13NO3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
5345-57-3
- ethyl 6-methoxyquinoline-4-carboxylate
- 5345-57-3
- NSC1709
- Oprea1_537958
- SCHEMBL2544566
- 6-METHOXY-4-QUINOLINECARBOXYLIC ACID, ETHYL ESTER
- DTXSID70968128
- BDBM561865
- 4-ethoxycarbonyl-6-methoxyquinoline
- NSC-1709
- NSC33787
- ethyl6-methoxyquinoline-4-carboxylate
- NSC-33787
- US11390631, Example 408
- Ethyl 6-methoxy-4-quinolinecarboxylate #
- 6-methoxy-quinoline-4-carboxylic acid ethyl ester
- SR-01000473565
- SR-01000473565-1
- Quinoline-4-carboxylic acid, 6-methoxy-, ethyl ester
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
231.25 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.4
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
231.08954328 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
231.08954328 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
48.4 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
269
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
NIST Number
163366
Library
Main library
Total Peaks
135
m/z Top Peak
231
m/z 2nd Highest
159
m/z 3rd Highest
158
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=AMTCPYGXTNRQQZ-UHFFFAOYSA-N
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxEthyl 6-methoxyquinoline-4-carboxylatehttps://comptox.epa.gov/dashboard/DTXSID70968128
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawQuinoline-4-carboxylic acid, 6-methoxy-, ethyl esterhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseQUINOLIN-4-CARBOXYLIC ACID, 6-METHOXY-, ETHYL ESTERhttps://spectrabase.com/spectrum/CTAHJCXosEFQuinoline-4-carboxylic acid, 6-methoxy-, ethyl esterhttps://spectrabase.com/spectrum/470R5dZYS2K
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataEthyl 6-methoxyquinoline-4-carboxylatehttps://www.wikidata.org/wiki/Q82950830
- PubChem
- PATENTSCOPE (WIPO)SID 404311014https://pubchem.ncbi.nlm.nih.gov/substance/404311014
CONTENTS