[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate

C18H14FN3O3 — CID 23971741

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2nccnc12)NCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O3/c19-13-6-4-12(5-7-13)10-22-16(23)11-25-18(24)14-2-1-3-15-17(14)21-9-8-20-15/h1-9H,10-11H2,(H,22,23)
InChIKeyHAXQLDOHEWEDKF-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.24
Rot. Bonds5

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate (PubChem CID 23971741) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate
PubChem CID23971741
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2nccnc12)NCc1ccc(F)cc1
InChIInChI=1S/C18H14FN3O3/c19-13-6-4-12(5-7-13)10-22-16(23)11-25-18(24)14-2-1-3-15-17(14)21-9-8-20-15/h1-9H,10-11H2,(H,22,23)
InChIKeyHAXQLDOHEWEDKF-UHFFFAOYSA-N
XLogP2.24
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4792909
CID 4792909
CID 2466236
CID 2466236
CID 2573987
CID 2573987
CID 3239096
CID 3239096
CID 4088302
CID 4088302
CID 16314810
CID 16314810
CID 873016
CID 873016
CID 2100063
CID 2100063
CID 8096961
CID 8096961
CID 2420018
CID 2420018
CID 8096945
CID 8096945
CID 2166108
CID 2166108

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate (CID 23971741) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate is O=C(COC(=O)c1cccc2nccnc12)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate?
The InChIKey is HAXQLDOHEWEDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-13-6-4-12(5-7-13)10-22-16(23)11-25-18(24)14-2-1-3-15-17(14)21-9-8-20-15/h1-9H,10-11H2,(H,22,23).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate has a molecular weight of 339.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23971741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).