[2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate

C16H11FN2O4 — CID 166331421

IUPAC[2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2cc3nccnc3cc2F)co1
InChIInChI=1S/C16H11FN2O4/c1-9-4-10(7-22-9)15(20)8-23-16(21)11-5-13-14(6-12(11)17)19-3-2-18-13/h2-7H,8H2,1H3
InChIKeyUITAKBGUKPWMMZ-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.71
Rot. Bonds4

About [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate

[2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate (PubChem CID 166331421) has the molecular formula C16H11FN2O4 and a molecular weight of 314.27 g/mol. Its IUPAC name is [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate
PubChem CID166331421
Molecular FormulaC16H11FN2O4
Molecular Weight314.27 g/mol
Exact Mass314.07
IUPAC Name[2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate
SMILESCc1cc(C(=O)COC(=O)c2cc3nccnc3cc2F)co1
InChIInChI=1S/C16H11FN2O4/c1-9-4-10(7-22-9)15(20)8-23-16(21)11-5-13-14(6-12(11)17)19-3-2-18-13/h2-7H,8H2,1H3
InChIKeyUITAKBGUKPWMMZ-UHFFFAOYSA-N
XLogP2.71
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]furan-3-carboxylate
CID 2499182
2-(4-Fluorophenoxy)ethyl quinoxaline-6-carboxylate
CID 7676619
2-Phenoxyethyl quinoxaline-6-carboxylate
CID 7676637
2-(2-Fluorophenoxy)ethyl quinoxaline-6-carboxylate
CID 7676755
4,4-Difluoro-1-(furan-2-yl)-2-quinoxalin-2-ylbutane-1,3-dione
CID 91476580
Ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
CID 118453957
7,7-Difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine
CID 135152963
(5-Fluoro-1-benzofuran-2-yl) quinoxaline-6-carboxylate
CID 153918682
Ethyl 5-{[4-(2-quinoxalinyl)phenoxy]methyl}-2-furoate
CID 2220253
Methyl 3-(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017092
[2-(5-Fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676646
(5-Fluoro-2-methoxyphenyl)methyl quinoxaline-6-carboxylate
CID 7676729

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate?
The IUPAC name of [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate (CID 166331421) is [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate.
What is the SMILES notation for [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate?
The canonical SMILES for [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate is Cc1cc(C(=O)COC(=O)c2cc3nccnc3cc2F)co1.
What is the InChIKey of [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate?
The InChIKey is UITAKBGUKPWMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O4/c1-9-4-10(7-22-9)15(20)8-23-16(21)11-5-13-14(6-12(11)17)19-3-2-18-13/h2-7H,8H2,1H3.
What are the key properties of [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate?
[2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate has a molecular weight of 314.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylfuran-3-yl)-2-oxoethyl] 7-fluoroquinoxaline-6-carboxylate is sourced from PubChem (CID 166331421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).