2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid

C16H11ClN2O3 — CID 126644983

IUPAC2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H11ClN2O3/c17-11-3-6-13-14(8-11)18-9-15(19-13)22-12-4-1-10(2-5-12)7-16(20)21/h1-6,8-9H,7H2,(H,20,21)
InChIKeySPHMJKAQMWKCCP-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid

2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid (PubChem CID 126644983) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid
PubChem CID126644983
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H11ClN2O3/c17-11-3-6-13-14(8-11)18-9-15(19-13)22-12-4-1-10(2-5-12)7-16(20)21/h1-6,8-9H,7H2,(H,20,21)
InChIKeySPHMJKAQMWKCCP-UHFFFAOYSA-N
XLogP3.70
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid (CID 126644983) is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid is O=C(O)Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid?
The InChIKey is SPHMJKAQMWKCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-11-3-6-13-14(8-11)18-9-15(19-13)22-12-4-1-10(2-5-12)7-16(20)21/h1-6,8-9H,7H2,(H,20,21).
What are the key properties of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid?
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid has a molecular weight of 314.73 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 126644983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).