2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid

C13H12N2O4 — CID 61329390

IUPAC2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O4/c16-12(7-19-8-13(17)18)15-10-5-9-3-1-2-4-11(9)14-6-10/h1-6H,7-8H2,(H,15,16)(H,17,18)
InChIKeyFXTDUNGKYUDUKZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid

2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid (PubChem CID 61329390) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
PubChem CID61329390
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H12N2O4/c16-12(7-19-8-13(17)18)15-10-5-9-3-1-2-4-11(9)14-6-10/h1-6H,7-8H2,(H,15,16)(H,17,18)
InChIKeyFXTDUNGKYUDUKZ-UHFFFAOYSA-N
XLogP1.27
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
methyl N-quinolin-3-ylcarbamate
CID 19697860
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598
2-(4-acetamidophenyl)-N-quinolin-3-ylacetamide
CID 18146526
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 5303623
N-(4-chlorophenyl)-2-[(S)-[2-oxo-2-(quinolin-3-ylamino)ethyl]sulfinyl]acetamide
CID 51508267

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid (CID 61329390) is 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid is O=C(O)COCC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid?
The InChIKey is FXTDUNGKYUDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12(7-19-8-13(17)18)15-10-5-9-3-1-2-4-11(9)14-6-10/h1-6H,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid?
2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid is sourced from PubChem (CID 61329390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).