(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

C17H13ClN2O4 — CID 3246729

IUPAC(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/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)/t10-/m1/s1
InChIKeyNUQZXROIVGBRGR-SNVBAGLBSA-N
MW344.75 g/mol
LogP3.93
Rot. Bonds5

About (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 3246729) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
PubChem CID3246729
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O
InChIInChI=1S/C17H13ClN2O4/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)/t10-/m1/s1
InChIKeyNUQZXROIVGBRGR-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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Related Compounds

2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054
2-[4-[(6-chloro-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoic acid
CID 10970039
2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
CID 10592179
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
CID 10830920
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
CID 23500327
thiolan-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 19022198
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid (CID 3246729) is (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is NUQZXROIVGBRGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid?
(2R)-2-[4-(7-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-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 3246729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).