4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide

C17H14FN3O2 — CID 50808114

IUPAC4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H14FN3O2/c1-2-21-14-6-4-3-5-13(14)20-15(17(21)23)16(22)19-12-9-7-11(18)8-10-12/h3-10H,2H2,1H3,(H,19,22)
InChIKeyXFARLDSRZQDYPC-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.81
Rot. Bonds3

About 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide

4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide (PubChem CID 50808114) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
PubChem CID50808114
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C17H14FN3O2/c1-2-21-14-6-4-3-5-13(14)20-15(17(21)23)16(22)19-12-9-7-11(18)8-10-12/h3-10H,2H2,1H3,(H,19,22)
InChIKeyXFARLDSRZQDYPC-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide (CID 50808114) is 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide?
The InChIKey is XFARLDSRZQDYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-2-21-14-6-4-3-5-13(14)20-15(17(21)23)16(22)19-12-9-7-11(18)8-10-12/h3-10H,2H2,1H3,(H,19,22).
What are the key properties of 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide?
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 50808114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).