ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate

C22H18N2O4 — CID 2220253

IUPACethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)o1
InChIInChI=1S/C22H18N2O4/c1-2-26-22(25)21-12-11-17(28-21)14-27-16-9-7-15(8-10-16)20-13-23-18-5-3-4-6-19(18)24-20/h3-13H,2,14H2,1H3
InChIKeyUNICSVRQIHVMQQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.65
Rot. Bonds6

About ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate

ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate (PubChem CID 2220253) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate
PubChem CID2220253
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Nameethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)o1
InChIInChI=1S/C22H18N2O4/c1-2-26-22(25)21-12-11-17(28-21)14-27-16-9-7-15(8-10-16)20-13-23-18-5-3-4-6-19(18)24-20/h3-13H,2,14H2,1H3
InChIKeyUNICSVRQIHVMQQ-UHFFFAOYSA-N
XLogP4.65
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate (CID 2220253) is ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)o1.
What is the InChIKey of ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is UNICSVRQIHVMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-2-26-22(25)21-12-11-17(28-21)14-27-16-9-7-15(8-10-16)20-13-23-18-5-3-4-6-19(18)24-20/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate?
ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-quinoxalin-2-ylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 2220253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).