[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C26H18FN3O5 — CID 23744507

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NCc1ccc(F)cc1
InChIInChI=1S/C26H18FN3O5/c27-18-8-5-16(6-9-18)14-28-23(31)15-35-26(32)17-7-10-19-20(13-17)30-25(22-4-2-12-34-22)24(29-19)21-3-1-11-33-21/h1-13H,14-15H2,(H,28,31)
InChIKeyBYKKAAQUQWUTKX-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.76
Rot. Bonds7

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23744507) has the molecular formula C26H18FN3O5 and a molecular weight of 471.44 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
PubChem CID23744507
Molecular FormulaC26H18FN3O5
Molecular Weight471.44 g/mol
Exact Mass471.12
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NCc1ccc(F)cc1
InChIInChI=1S/C26H18FN3O5/c27-18-8-5-16(6-9-18)14-28-23(31)15-35-26(32)17-7-10-19-20(13-17)30-25(22-4-2-12-34-22)24(29-19)21-3-1-11-33-21/h1-13H,14-15H2,(H,28,31)
InChIKeyBYKKAAQUQWUTKX-UHFFFAOYSA-N
XLogP4.76
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23943716
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23887588
N-[(3-fluorophenyl)methyl]-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide
CID 54583242
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23915588
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682070
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23915823
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7716680
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512730
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate
CID 2629130

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23744507) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is O=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The InChIKey is BYKKAAQUQWUTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O5/c27-18-8-5-16(6-9-18)14-28-23(31)15-35-26(32)17-7-10-19-20(13-17)30-25(22-4-2-12-34-22)24(29-19)21-3-1-11-33-21/h1-13H,14-15H2,(H,28,31).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 471.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23744507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).