2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

C17H13ClN2O4 — CID 10521415

IUPAC2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccccc1Oc1cnc2ccc(Cl)cc2n1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-14-4-2-3-5-15(14)24-16-9-19-12-7-6-11(18)8-13(12)20-16/h2-10H,1H3,(H,21,22)
InChIKeyGKXVJJZRYUIEMS-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.93
Rot. Bonds5

About 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 10521415) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
PubChem CID10521415
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccccc1Oc1cnc2ccc(Cl)cc2n1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-14-4-2-3-5-15(14)24-16-9-19-12-7-6-11(18)8-13(12)20-16/h2-10H,1H3,(H,21,22)
InChIKeyGKXVJJZRYUIEMS-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid (CID 10521415) is 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is CC(Oc1ccccc1Oc1cnc2ccc(Cl)cc2n1)C(=O)O.
What is the InChIKey of 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is GKXVJJZRYUIEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-14-4-2-3-5-15(14)24-16-9-19-12-7-6-11(18)8-13(12)20-16/h2-10H,1H3,(H,21,22).
What are the key properties of 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 344.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 10521415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).