2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid

C14H13NO5 — CID 168935322

IUPAC2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
SMILESCCOC(=O)COc1ccc2cc(C(=O)O)ccc2n1
InChIInChI=1S/C14H13NO5/c1-2-19-13(16)8-20-12-6-4-9-7-10(14(17)18)3-5-11(9)15-12/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyOIKSAPZHVUOFCR-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid

2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid (PubChem CID 168935322) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
PubChem CID168935322
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
SMILESCCOC(=O)COc1ccc2cc(C(=O)O)ccc2n1
InChIInChI=1S/C14H13NO5/c1-2-19-13(16)8-20-12-6-4-9-7-10(14(17)18)3-5-11(9)15-12/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyOIKSAPZHVUOFCR-UHFFFAOYSA-N
XLogP1.87
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 122585497
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
3-(2-ethoxy-2-oxoethoxy)-1,2-oxazole-5-carboxylic acid
CID 58846560
ethane;quinoline-6-carboxylic acid
CID 91364452
3,5-dibromo-4-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 103694206
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
CID 135932177
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-[4-(2-pyridin-2-ylquinazolin-4-yl)piperazin-1-yl]phenoxy]acetate
CID 71664053
2,4-bis(ethoxycarbonyl)quinoline-6-carboxylic acid
CID 71486114

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid (CID 168935322) is 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid is CCOC(=O)COc1ccc2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid?
The InChIKey is OIKSAPZHVUOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-2-19-13(16)8-20-12-6-4-9-7-10(14(17)18)3-5-11(9)15-12/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid?
2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid is sourced from PubChem (CID 168935322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).