2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid

C16H11ClN2O5 — CID 122187410

IUPAC2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(Oc2ccc(O)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClN2O5/c17-9-1-6-12-13(7-9)19(8-14(21)22)16(23)15(18-12)24-11-4-2-10(20)3-5-11/h1-7,20H,8H2,(H,21,22)
InChIKeyQATKWIXXZCYEFD-UHFFFAOYSA-N
MW346.73 g/mol
LogP2.63
Rot. Bonds4

About 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid

2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid (PubChem CID 122187410) has the molecular formula C16H11ClN2O5 and a molecular weight of 346.73 g/mol. Its IUPAC name is 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid
PubChem CID122187410
Molecular FormulaC16H11ClN2O5
Molecular Weight346.73 g/mol
Exact Mass346.04
IUPAC Name2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c(Oc2ccc(O)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H11ClN2O5/c17-9-1-6-12-13(7-9)19(8-14(21)22)16(23)15(18-12)24-11-4-2-10(20)3-5-11/h1-7,20H,8H2,(H,21,22)
InChIKeyQATKWIXXZCYEFD-UHFFFAOYSA-N
XLogP2.63
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid?
The IUPAC name of 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid (CID 122187410) is 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid is O=C(O)Cn1c(=O)c(Oc2ccc(O)cc2)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid?
The InChIKey is QATKWIXXZCYEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O5/c17-9-1-6-12-13(7-9)19(8-14(21)22)16(23)15(18-12)24-11-4-2-10(20)3-5-11/h1-7,20H,8H2,(H,21,22).
What are the key properties of 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid?
2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid has a molecular weight of 346.73 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(4-hydroxyphenoxy)-2-oxoquinoxalin-1-yl]acetic acid is sourced from PubChem (CID 122187410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).