N-(3,4-difluorophenyl)quinoxaline-2-carboxamide

C15H9F2N3O — CID 17417974

IUPACN-(3,4-difluorophenyl)quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H9F2N3O/c16-10-6-5-9(7-11(10)17)19-15(21)14-8-18-12-3-1-2-4-13(12)20-14/h1-8H,(H,19,21)
InChIKeyPUUVCLNXTGGTST-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.16
Rot. Bonds2

About N-(3,4-difluorophenyl)quinoxaline-2-carboxamide

N-(3,4-difluorophenyl)quinoxaline-2-carboxamide (PubChem CID 17417974) has the molecular formula C15H9F2N3O and a molecular weight of 285.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)quinoxaline-2-carboxamide
PubChem CID17417974
Molecular FormulaC15H9F2N3O
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC NameN-(3,4-difluorophenyl)quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H9F2N3O/c16-10-6-5-9(7-11(10)17)19-15(21)14-8-18-12-3-1-2-4-13(12)20-14/h1-8H,(H,19,21)
InChIKeyPUUVCLNXTGGTST-UHFFFAOYSA-N
XLogP3.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)quinoxaline-2-carboxamide (CID 17417974) is N-(3,4-difluorophenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)quinoxaline-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
The InChIKey is PUUVCLNXTGGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O/c16-10-6-5-9(7-11(10)17)19-15(21)14-8-18-12-3-1-2-4-13(12)20-14/h1-8H,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)quinoxaline-2-carboxamide?
N-(3,4-difluorophenyl)quinoxaline-2-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 17417974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).