5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide

C16H12FN3O2 — CID 155269525

IUPAC5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2ncc(C(N)=O)nc12
InChIInChI=1S/C16H12FN3O2/c1-22-13-7-6-11(9-2-4-10(17)5-3-9)14-15(13)20-12(8-19-14)16(18)21/h2-8H,1H3,(H2,18,21)
InChIKeyJAHKUVDLFCMEOU-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.54
Rot. Bonds3

About 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide

5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide (PubChem CID 155269525) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide
PubChem CID155269525
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2ncc(C(N)=O)nc12
InChIInChI=1S/C16H12FN3O2/c1-22-13-7-6-11(9-2-4-10(17)5-3-9)14-15(13)20-12(8-19-14)16(18)21/h2-8H,1H3,(H2,18,21)
InChIKeyJAHKUVDLFCMEOU-UHFFFAOYSA-N
XLogP2.54
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide (CID 155269525) is 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide is COc1ccc(-c2ccc(F)cc2)c2ncc(C(N)=O)nc12.
What is the InChIKey of 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide?
The InChIKey is JAHKUVDLFCMEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-22-13-7-6-11(9-2-4-10(17)5-3-9)14-15(13)20-12(8-19-14)16(18)21/h2-8H,1H3,(H2,18,21).
What are the key properties of 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide?
5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-8-methoxyquinoxaline-2-carboxamide is sourced from PubChem (CID 155269525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).