2-(5-chloroquinolin-8-yl)oxyacetic acid

C11H8ClNO3 — CID 15257197

IUPAC2-(5-chloroquinolin-8-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H8ClNO3/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h1-5H,6H2,(H,14,15)
InChIKeyICJSJAJWTWPSBD-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.35
Rot. Bonds3

About 2-(5-chloroquinolin-8-yl)oxyacetic acid

2-(5-chloroquinolin-8-yl)oxyacetic acid (PubChem CID 15257197) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxyacetic acid
PubChem CID15257197
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name2-(5-chloroquinolin-8-yl)oxyacetic acid
SMILESO=C(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H8ClNO3/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h1-5H,6H2,(H,14,15)
InChIKeyICJSJAJWTWPSBD-UHFFFAOYSA-N
XLogP2.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxyacetic acid?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxyacetic acid (CID 15257197) is 2-(5-chloroquinolin-8-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxyacetic acid?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxyacetic acid is O=C(O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxyacetic acid?
The InChIKey is ICJSJAJWTWPSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-8-3-4-9(16-6-10(14)15)11-7(8)2-1-5-13-11/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxyacetic acid?
2-(5-chloroquinolin-8-yl)oxyacetic acid has a molecular weight of 237.64 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxyacetic acid is sourced from PubChem (CID 15257197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).