2-phenoxyethyl quinoxaline-6-carboxylate

C17H14N2O3 — CID 7676637

IUPAC2-phenoxyethyl quinoxaline-6-carboxylate
SMILESO=C(OCCOc1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H14N2O3/c20-17(22-11-10-21-14-4-2-1-3-5-14)13-6-7-15-16(12-13)19-9-8-18-15/h1-9,12H,10-11H2
InChIKeyBSXUDSPEWBICNQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.87
Rot. Bonds5

About 2-phenoxyethyl quinoxaline-6-carboxylate

2-phenoxyethyl quinoxaline-6-carboxylate (PubChem CID 7676637) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-phenoxyethyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl quinoxaline-6-carboxylate
PubChem CID7676637
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-phenoxyethyl quinoxaline-6-carboxylate
SMILESO=C(OCCOc1ccccc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H14N2O3/c20-17(22-11-10-21-14-4-2-1-3-5-14)13-6-7-15-16(12-13)19-9-8-18-15/h1-9,12H,10-11H2
InChIKeyBSXUDSPEWBICNQ-UHFFFAOYSA-N
XLogP2.87
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenoxyethyl quinoxaline-6-carboxylate?
The IUPAC name of 2-phenoxyethyl quinoxaline-6-carboxylate (CID 7676637) is 2-phenoxyethyl quinoxaline-6-carboxylate.
What is the SMILES notation for 2-phenoxyethyl quinoxaline-6-carboxylate?
The canonical SMILES for 2-phenoxyethyl quinoxaline-6-carboxylate is O=C(OCCOc1ccccc1)c1ccc2nccnc2c1.
What is the InChIKey of 2-phenoxyethyl quinoxaline-6-carboxylate?
The InChIKey is BSXUDSPEWBICNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(22-11-10-21-14-4-2-1-3-5-14)13-6-7-15-16(12-13)19-9-8-18-15/h1-9,12H,10-11H2.
What are the key properties of 2-phenoxyethyl quinoxaline-6-carboxylate?
2-phenoxyethyl quinoxaline-6-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl quinoxaline-6-carboxylate is sourced from PubChem (CID 7676637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).