2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid

C17H13ClN2O4 — CID 22420742

IUPAC2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)(Oc1cnc2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-17(16(21)22,23-12-5-3-2-4-6-12)24-15-10-19-14-9-11(18)7-8-13(14)20-15/h2-10H,1H3,(H,21,22)
InChIKeySMSIXFUUCFWBIS-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.54
Rot. Bonds5

About 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid

2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid (PubChem CID 22420742) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid.

Molecular Properties

Compound Name2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid
PubChem CID22420742
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid
SMILESCC(Oc1ccccc1)(Oc1cnc2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-17(16(21)22,23-12-5-3-2-4-6-12)24-15-10-19-14-9-11(18)7-8-13(14)20-15/h2-10H,1H3,(H,21,22)
InChIKeySMSIXFUUCFWBIS-UHFFFAOYSA-N
XLogP3.54
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid?
The IUPAC name of 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid (CID 22420742) is 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid.
What is the SMILES notation for 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid?
The canonical SMILES for 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid is CC(Oc1ccccc1)(Oc1cnc2cc(Cl)ccc2n1)C(=O)O.
What is the InChIKey of 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid?
The InChIKey is SMSIXFUUCFWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-17(16(21)22,23-12-5-3-2-4-6-12)24-15-10-19-14-9-11(18)7-8-13(14)20-15/h2-10H,1H3,(H,21,22).
What are the key properties of 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid?
2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid has a molecular weight of 344.75 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid is sourced from PubChem (CID 22420742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).