ethyl 2-quinolin-8-ylacetate

C13H13NO2 — CID 52562898

IUPACethyl 2-quinolin-8-ylacetate
SMILESCCOC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C13H13NO2/c1-2-16-12(15)9-11-6-3-5-10-7-4-8-14-13(10)11/h3-8H,2,9H2,1H3
InChIKeyJQCBLDAVNINLTD-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.34
Rot. Bonds3

About ethyl 2-quinolin-8-ylacetate

ethyl 2-quinolin-8-ylacetate (PubChem CID 52562898) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-quinolin-8-ylacetate.

Molecular Properties

Compound Nameethyl 2-quinolin-8-ylacetate
PubChem CID52562898
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameethyl 2-quinolin-8-ylacetate
SMILESCCOC(=O)Cc1cccc2cccnc12
InChIInChI=1S/C13H13NO2/c1-2-16-12(15)9-11-6-3-5-10-7-4-8-14-13(10)11/h3-8H,2,9H2,1H3
InChIKeyJQCBLDAVNINLTD-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
CID 103258791
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
CID 177421330
ethyl 2-furo[3,2-b]pyridin-3-ylacetate
CID 10442936
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
diethyl 2-formamido-2-(quinolin-8-ylmethyl)propanedioate
CID 54322974
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
ethyl 2-[2-[(8-bromoquinolin-6-yl)methoxy]phenyl]acetate
CID 139561384
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 46688074
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-quinolin-8-ylacetate?
The IUPAC name of ethyl 2-quinolin-8-ylacetate (CID 52562898) is ethyl 2-quinolin-8-ylacetate.
What is the SMILES notation for ethyl 2-quinolin-8-ylacetate?
The canonical SMILES for ethyl 2-quinolin-8-ylacetate is CCOC(=O)Cc1cccc2cccnc12.
What is the InChIKey of ethyl 2-quinolin-8-ylacetate?
The InChIKey is JQCBLDAVNINLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-16-12(15)9-11-6-3-5-10-7-4-8-14-13(10)11/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-quinolin-8-ylacetate?
ethyl 2-quinolin-8-ylacetate has a molecular weight of 215.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-quinolin-8-ylacetate is sourced from PubChem (CID 52562898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).