N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide

C17H14FN3O — CID 9462807

IUPACN-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H14FN3O/c18-14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)
InChIKeyABFIXUINMJTVFA-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide

N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide (PubChem CID 9462807) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide
PubChem CID9462807
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc2nccnc2c1
InChIInChI=1S/C17H14FN3O/c18-14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22)
InChIKeyABFIXUINMJTVFA-UHFFFAOYSA-N
XLogP2.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide (CID 9462807) is N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc2nccnc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is ABFIXUINMJTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-4-1-12(2-5-14)7-8-21-17(22)13-3-6-15-16(11-13)20-10-9-19-15/h1-6,9-11H,7-8H2,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide?
N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 9462807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).