2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid

C12H11NO4 — CID 82108362

IUPAC2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid
SMILESCC(Oc1cccc2ccc(=O)[nH]c12)C(=O)O
InChIInChI=1S/C12H11NO4/c1-7(12(15)16)17-9-4-2-3-8-5-6-10(14)13-11(8)9/h2-7H,1H3,(H,13,14)(H,15,16)
InChIKeyALBHRCHWJJUFSG-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.38
Rot. Bonds3

About 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid

2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid (PubChem CID 82108362) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid
PubChem CID82108362
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid
SMILESCC(Oc1cccc2ccc(=O)[nH]c12)C(=O)O
InChIInChI=1S/C12H11NO4/c1-7(12(15)16)17-9-4-2-3-8-5-6-10(14)13-11(8)9/h2-7H,1H3,(H,13,14)(H,15,16)
InChIKeyALBHRCHWJJUFSG-UHFFFAOYSA-N
XLogP1.38
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid?
The IUPAC name of 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid (CID 82108362) is 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid.
What is the SMILES notation for 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid?
The canonical SMILES for 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid is CC(Oc1cccc2ccc(=O)[nH]c12)C(=O)O.
What is the InChIKey of 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid?
The InChIKey is ALBHRCHWJJUFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7(12(15)16)17-9-4-2-3-8-5-6-10(14)13-11(8)9/h2-7H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid?
2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid has a molecular weight of 233.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-quinolin-8-yl)oxy]propanoic acid is sourced from PubChem (CID 82108362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).