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

C17H13ClN2O4 — CID 70470458

IUPAC2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H13ClN2O4/c1-23-16(17(21)22)10-2-5-12(6-3-10)24-15-9-19-14-8-11(18)4-7-13(14)20-15/h2-9,16H,1H3,(H,21,22)
InChIKeyOXFPLRNVKMPHKH-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.85
Rot. Bonds5

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

2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid (PubChem CID 70470458) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
PubChem CID70470458
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H13ClN2O4/c1-23-16(17(21)22)10-2-5-12(6-3-10)24-15-9-19-14-8-11(18)4-7-13(14)20-15/h2-9,16H,1H3,(H,21,22)
InChIKeyOXFPLRNVKMPHKH-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
CID 18631258
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-3-[2,3,4,5-tetrakis(sulfanyl)phenyl]propanoic acid
CID 54092219
4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide
CID 134106584
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054
thiolan-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 19022198
2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid
CID 67585154
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid (CID 70470458) is 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid is COC(C(=O)O)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid?
The InChIKey is OXFPLRNVKMPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-23-16(17(21)22)10-2-5-12(6-3-10)24-15-9-19-14-8-11(18)4-7-13(14)20-15/h2-9,16H,1H3,(H,21,22).
What are the key properties of 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid?
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid has a molecular weight of 344.75 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid is sourced from PubChem (CID 70470458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).