2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid

C17H13ClN2O4 — CID 67585154

IUPAC2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)Oc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C17H13ClN2O4/c18-11-6-7-13-14(8-11)19-9-16(20-13)24-15(17(21)22)10-23-12-4-2-1-3-5-12/h1-9,15H,10H2,(H,21,22)
InChIKeyGAAYWEBQFCFDRL-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.19
Rot. Bonds6

About 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid

2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid (PubChem CID 67585154) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid
PubChem CID67585154
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)Oc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C17H13ClN2O4/c18-11-6-7-13-14(8-11)19-9-16(20-13)24-15(17(21)22)10-23-12-4-2-1-3-5-12/h1-9,15H,10H2,(H,21,22)
InChIKeyGAAYWEBQFCFDRL-UHFFFAOYSA-N
XLogP3.19
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid
CID 22420742
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-3-[2,3,4,5-tetrakis(sulfanyl)phenyl]propanoic acid
CID 54092219
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
3-phenoxy-2-pyridin-4-yloxypropanoic acid
CID 54521232
2-(6-chloroquinoxalin-2-yl)oxyethyl propanoate
CID 175100340
methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
CID 18631258
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
3-(4-chloro-2-cyclohexylphenoxy)-2-phenoxypropanoic acid
CID 57264075
(2S)-2-(4-chlorophenoxy)-4-phenoxybutanoic acid
CID 73347301
2-ethoxy-3-phenoxypropanoic acid
CID 63074298

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid?
The IUPAC name of 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid (CID 67585154) is 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid.
What is the SMILES notation for 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid?
The canonical SMILES for 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid is O=C(O)C(COc1ccccc1)Oc1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid?
The InChIKey is GAAYWEBQFCFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-11-6-7-13-14(8-11)19-9-16(20-13)24-15(17(21)22)10-23-12-4-2-1-3-5-12/h1-9,15H,10H2,(H,21,22).
What are the key properties of 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid?
2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid has a molecular weight of 344.75 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid is sourced from PubChem (CID 67585154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).