(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate

C14H13NO4 — CID 156784180

IUPAC(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
SMILESCCOC(=O)COC(=O)c1cccc2cccnc12
InChIInChI=1S/C14H13NO4/c1-2-18-12(16)9-19-14(17)11-7-3-5-10-6-4-8-15-13(10)11/h3-8H,2,9H2,1H3
InChIKeyCROCOIKAZCQTMA-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.95
Rot. Bonds4

About (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate

(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate (PubChem CID 156784180) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
PubChem CID156784180
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
SMILESCCOC(=O)COC(=O)c1cccc2cccnc12
InChIInChI=1S/C14H13NO4/c1-2-18-12(16)9-19-14(17)11-7-3-5-10-6-4-8-15-13(10)11/h3-8H,2,9H2,1H3
InChIKeyCROCOIKAZCQTMA-UHFFFAOYSA-N
XLogP1.95
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate
CID 71900631
ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
CID 103258791
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate?
The IUPAC name of (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate (CID 156784180) is (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate is CCOC(=O)COC(=O)c1cccc2cccnc12.
What is the InChIKey of (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate?
The InChIKey is CROCOIKAZCQTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-18-12(16)9-19-14(17)11-7-3-5-10-6-4-8-15-13(10)11/h3-8H,2,9H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate?
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) quinoline-8-carboxylate is sourced from PubChem (CID 156784180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).