2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid

C14H13NO5 — CID 68600255

IUPAC2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
SMILESCCOC(=O)c1cc(OCC(=O)O)c2ccccc2n1
InChIInChI=1S/C14H13NO5/c1-2-19-14(18)11-7-12(20-8-13(16)17)9-5-3-4-6-10(9)15-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyJGFMRCWXTMJABJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid

2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid (PubChem CID 68600255) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
PubChem CID68600255
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
SMILESCCOC(=O)c1cc(OCC(=O)O)c2ccccc2n1
InChIInChI=1S/C14H13NO5/c1-2-19-14(18)11-7-12(20-8-13(16)17)9-5-3-4-6-10(9)15-11/h3-7H,2,8H2,1H3,(H,16,17)
InChIKeyJGFMRCWXTMJABJ-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-methylquinolin-4-yl)oxyacetic acid
CID 658584
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
ethyl 4-[2-[2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]quinoline-2-carboxylate
CID 68598683
4-[[4-(carboxymethoxy)quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 22017501
ethyl quinoxaline-2-carboxylate
CID 582701
ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53043313
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
4-(2-carboxyethoxy)quinoline-2-carboxylic acid
CID 15166978
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid?
The IUPAC name of 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid (CID 68600255) is 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid is CCOC(=O)c1cc(OCC(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid?
The InChIKey is JGFMRCWXTMJABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-2-19-14(18)11-7-12(20-8-13(16)17)9-5-3-4-6-10(9)15-11/h3-7H,2,8H2,1H3,(H,16,17).
What are the key properties of 2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid?
2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic 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-ethoxycarbonylquinolin-4-yl)oxyacetic acid is sourced from PubChem (CID 68600255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).