6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one

C16H10F2N2O — CID 22341125

IUPAC6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(F)c(F)cc2nc1/C=C/c1ccccc1
InChIInChI=1S/C16H10F2N2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21)/b7-6+
InChIKeyOSEDWTOQCPDLMC-VOTSOKGWSA-N
MW284.27 g/mol
LogP3.37
Rot. Bonds2

About 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one

6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one (PubChem CID 22341125) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
PubChem CID22341125
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(F)c(F)cc2nc1/C=C/c1ccccc1
InChIInChI=1S/C16H10F2N2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21)/b7-6+
InChIKeyOSEDWTOQCPDLMC-VOTSOKGWSA-N
XLogP3.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one (CID 22341125) is 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2cc(F)c(F)cc2nc1/C=C/c1ccccc1.
What is the InChIKey of 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one?
The InChIKey is OSEDWTOQCPDLMC-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21)/b7-6+.
What are the key properties of 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one?
6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one has a molecular weight of 284.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 22341125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).