2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid

C12H11ClN2O3 — CID 174461558

IUPAC2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1ccc(Cl)c2nccnc12
InChIInChI=1S/C12H11ClN2O3/c13-9-2-1-8(3-6-18-7-10(16)17)11-12(9)15-5-4-14-11/h1-2,4-5H,3,6-7H2,(H,16,17)
InChIKeyWDODSGLFHKXLGT-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.93
Rot. Bonds5

About 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid

2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid (PubChem CID 174461558) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid
PubChem CID174461558
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid
SMILESO=C(O)COCCc1ccc(Cl)c2nccnc12
InChIInChI=1S/C12H11ClN2O3/c13-9-2-1-8(3-6-18-7-10(16)17)11-12(9)15-5-4-14-11/h1-2,4-5H,3,6-7H2,(H,16,17)
InChIKeyWDODSGLFHKXLGT-UHFFFAOYSA-N
XLogP1.93
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
CID 174478741
2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid
CID 24769571
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
2-[2-[4-[2-(carboxymethoxy)ethoxy]phenoxy]ethoxy]acetic acid
CID 15307009
2-[2-[(6-chloro-8-methylquinolin-5-yl)amino]-2-oxoethoxy]acetic acid
CID 61329018
2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
CID 19766364
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
2-[(2-chloro-5-fluorophenyl)methoxy]acetic acid
CID 102615107
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
2-(3-chloropropoxy)acetic acid
CID 19745372
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid (CID 174461558) is 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid is O=C(O)COCCc1ccc(Cl)c2nccnc12.
What is the InChIKey of 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid?
The InChIKey is WDODSGLFHKXLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-9-2-1-8(3-6-18-7-10(16)17)11-12(9)15-5-4-14-11/h1-2,4-5H,3,6-7H2,(H,16,17).
What are the key properties of 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid?
2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid has a molecular weight of 266.68 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid is sourced from PubChem (CID 174461558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).