4-(2-carboxyethoxy)quinoline-2-carboxylic acid

C13H11NO5 — CID 15166978

IUPAC4-(2-carboxyethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)CCOc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C13H11NO5/c15-12(16)5-6-19-11-7-10(13(17)18)14-9-4-2-1-3-8(9)11/h1-4,7H,5-6H2,(H,15,16)(H,17,18)
InChIKeyQNQVJRDTDUVJDA-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.79
Rot. Bonds5

About 4-(2-carboxyethoxy)quinoline-2-carboxylic acid

4-(2-carboxyethoxy)quinoline-2-carboxylic acid (PubChem CID 15166978) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-(2-carboxyethoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxyethoxy)quinoline-2-carboxylic acid
PubChem CID15166978
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name4-(2-carboxyethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)CCOc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C13H11NO5/c15-12(16)5-6-19-11-7-10(13(17)18)14-9-4-2-1-3-8(9)11/h1-4,7H,5-6H2,(H,15,16)(H,17,18)
InChIKeyQNQVJRDTDUVJDA-UHFFFAOYSA-N
XLogP1.79
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyethoxy)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-carboxyethoxy)quinoline-2-carboxylic acid (CID 15166978) is 4-(2-carboxyethoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-carboxyethoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-carboxyethoxy)quinoline-2-carboxylic acid is O=C(O)CCOc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-carboxyethoxy)quinoline-2-carboxylic acid?
The InChIKey is QNQVJRDTDUVJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-12(16)5-6-19-11-7-10(13(17)18)14-9-4-2-1-3-8(9)11/h1-4,7H,5-6H2,(H,15,16)(H,17,18).
What are the key properties of 4-(2-carboxyethoxy)quinoline-2-carboxylic acid?
4-(2-carboxyethoxy)quinoline-2-carboxylic acid has a molecular weight of 261.23 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyethoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 15166978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).