sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate

C17H12ClN2NaO4 — CID 23675947

IUPACsodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)[O-].[Na+]
InChIInChI=1S/C17H13ClN2O4.Na/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16;/h2-10H,1H3,(H,21,22);/q;+1/p-1
InChIKeyOJENKXNXJPNEPU-UHFFFAOYSA-M
MW366.74 g/mol
LogP-0.40
Rot. Bonds5

About sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate

sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate (PubChem CID 23675947) has the molecular formula C17H12ClN2NaO4 and a molecular weight of 366.74 g/mol. Its IUPAC name is sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate.

Molecular Properties

Compound Namesodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
PubChem CID23675947
Molecular FormulaC17H12ClN2NaO4
Molecular Weight366.74 g/mol
Exact Mass366.04
IUPAC Namesodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)[O-].[Na+]
InChIInChI=1S/C17H13ClN2O4.Na/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16;/h2-10H,1H3,(H,21,22);/q;+1/p-1
InChIKeyOJENKXNXJPNEPU-UHFFFAOYSA-M
XLogP-0.40
TPSA84.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.74
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
The IUPAC name of sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate (CID 23675947) is sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate.
What is the SMILES notation for sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
The canonical SMILES for sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
The InChIKey is OJENKXNXJPNEPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13ClN2O4.Na/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16;/h2-10H,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate has a molecular weight of 366.74 g/mol, XLogP of -0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is sourced from PubChem (CID 23675947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).