2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid

C18H16N2O5 — CID 10807054

IUPAC2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESCOc1ccc2ncc(Oc3ccc(OC(C)C(=O)O)cc3)nc2c1
InChIInChI=1S/C18H16N2O5/c1-11(18(21)22)24-12-3-5-13(6-4-12)25-17-10-19-15-8-7-14(23-2)9-16(15)20-17/h3-11H,1-2H3,(H,21,22)
InChIKeyWPZYLMYSXFSEQX-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.28
Rot. Bonds6

About 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid

2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 10807054) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
PubChem CID10807054
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESCOc1ccc2ncc(Oc3ccc(OC(C)C(=O)O)cc3)nc2c1
InChIInChI=1S/C18H16N2O5/c1-11(18(21)22)24-12-3-5-13(6-4-12)25-17-10-19-15-8-7-14(23-2)9-16(15)20-17/h3-11H,1-2H3,(H,21,22)
InChIKeyWPZYLMYSXFSEQX-UHFFFAOYSA-N
XLogP3.28
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid (CID 10807054) is 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid is COc1ccc2ncc(Oc3ccc(OC(C)C(=O)O)cc3)nc2c1.
What is the InChIKey of 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is WPZYLMYSXFSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-11(18(21)22)24-12-3-5-13(6-4-12)25-17-10-19-15-8-7-14(23-2)9-16(15)20-17/h3-11H,1-2H3,(H,21,22).
What are the key properties of 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid?
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 340.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 10807054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).