2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid

C17H13N3O5 — CID 171812244

IUPAC2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid
SMILESO=CNc1ccc2ncc(Oc3ccc(OCC(=O)O)cc3)nc2c1
InChIInChI=1S/C17H13N3O5/c21-10-19-11-1-6-14-15(7-11)20-16(8-18-14)25-13-4-2-12(3-5-13)24-9-17(22)23/h1-8,10H,9H2,(H,19,21)(H,22,23)
InChIKeyQEFUCKBRVWCMIU-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.45
Rot. Bonds7

About 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid

2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid (PubChem CID 171812244) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid
PubChem CID171812244
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid
SMILESO=CNc1ccc2ncc(Oc3ccc(OCC(=O)O)cc3)nc2c1
InChIInChI=1S/C17H13N3O5/c21-10-19-11-1-6-14-15(7-11)20-16(8-18-14)25-13-4-2-12(3-5-13)24-9-17(22)23/h1-8,10H,9H2,(H,19,21)(H,22,23)
InChIKeyQEFUCKBRVWCMIU-UHFFFAOYSA-N
XLogP2.45
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid?
The IUPAC name of 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid (CID 171812244) is 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid is O=CNc1ccc2ncc(Oc3ccc(OCC(=O)O)cc3)nc2c1.
What is the InChIKey of 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid?
The InChIKey is QEFUCKBRVWCMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c21-10-19-11-1-6-14-15(7-11)20-16(8-18-14)25-13-4-2-12(3-5-13)24-9-17(22)23/h1-8,10H,9H2,(H,19,21)(H,22,23).
What are the key properties of 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid?
2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid has a molecular weight of 339.31 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-formamidoquinoxalin-2-yl)oxyphenoxy]acetic acid is sourced from PubChem (CID 171812244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).