2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid

C23H24ClFN2O6 — CID 70470481

IUPAC2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid
SMILESCCOCCOC(C)c1c(C(OC)C(=O)O)ccc(Oc2cnc3cc(Cl)ccc3n2)c1F
InChIInChI=1S/C23H24ClFN2O6/c1-4-31-9-10-32-13(2)20-15(22(30-3)23(28)29)6-8-18(21(20)25)33-19-12-26-17-11-14(24)5-7-16(17)27-19/h5-8,11-13,22H,4,9-10H2,1-3H3,(H,28,29)
InChIKeyWAKLZPYARCOBQP-UHFFFAOYSA-N
MW478.90 g/mol
LogP5.10
Rot. Bonds11

About 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid

2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid (PubChem CID 70470481) has the molecular formula C23H24ClFN2O6 and a molecular weight of 478.90 g/mol. Its IUPAC name is 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid
PubChem CID70470481
Molecular FormulaC23H24ClFN2O6
Molecular Weight478.90 g/mol
Exact Mass478.13
IUPAC Name2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid
SMILESCCOCCOC(C)c1c(C(OC)C(=O)O)ccc(Oc2cnc3cc(Cl)ccc3n2)c1F
InChIInChI=1S/C23H24ClFN2O6/c1-4-31-9-10-32-13(2)20-15(22(30-3)23(28)29)6-8-18(21(20)25)33-19-12-26-17-11-14(24)5-7-16(17)27-19/h5-8,11-13,22H,4,9-10H2,1-3H3,(H,28,29)
InChIKeyWAKLZPYARCOBQP-UHFFFAOYSA-N
XLogP5.10
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.90
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid (CID 70470481) is 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid is CCOCCOC(C)c1c(C(OC)C(=O)O)ccc(Oc2cnc3cc(Cl)ccc3n2)c1F.
What is the InChIKey of 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid?
The InChIKey is WAKLZPYARCOBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O6/c1-4-31-9-10-32-13(2)20-15(22(30-3)23(28)29)6-8-18(21(20)25)33-19-12-26-17-11-14(24)5-7-16(17)27-19/h5-8,11-13,22H,4,9-10H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid?
2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid has a molecular weight of 478.90 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloroquinoxalin-2-yl)oxy-2-[1-(2-ethoxyethoxy)ethyl]-3-fluorophenyl]-2-methoxyacetic acid is sourced from PubChem (CID 70470481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).