(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

C17H13ClN2O4 — CID 5484172

IUPAC(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
InChIKeyABOOPXYCKNFDNJ-SNVBAGLBSA-N
MW344.75 g/mol
LogP3.93
Rot. Bonds5

About (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 5484172) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
PubChem CID5484172
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
InChIKeyABOOPXYCKNFDNJ-SNVBAGLBSA-N
XLogP3.93
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid (CID 5484172) is (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is ABOOPXYCKNFDNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 344.75 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 5484172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).