2-(4-oxoquinolin-1-yl)acetic acid

C11H9NO3 — CID 22766108

IUPAC2-(4-oxoquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C11H9NO3/c13-10-5-6-12(7-11(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)
InChIKeyIVUSDAZOMBVFMI-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.09
Rot. Bonds2

About 2-(4-oxoquinolin-1-yl)acetic acid

2-(4-oxoquinolin-1-yl)acetic acid (PubChem CID 22766108) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(4-oxoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxoquinolin-1-yl)acetic acid
PubChem CID22766108
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(4-oxoquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C11H9NO3/c13-10-5-6-12(7-11(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15)
InChIKeyIVUSDAZOMBVFMI-UHFFFAOYSA-N
XLogP1.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(4-oxoquinolin-1-yl)acetic acid (CID 22766108) is 2-(4-oxoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-oxoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(4-oxoquinolin-1-yl)acetic acid is O=C(O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 2-(4-oxoquinolin-1-yl)acetic acid?
The InChIKey is IVUSDAZOMBVFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-5-6-12(7-11(14)15)9-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,15).
What are the key properties of 2-(4-oxoquinolin-1-yl)acetic acid?
2-(4-oxoquinolin-1-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinolin-1-yl)acetic acid is sourced from PubChem (CID 22766108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).