1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one

C21H14F2N2O — CID 118940765

IUPAC1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C21H14F2N2O/c22-17-10-15(14-6-2-1-3-7-14)11-18(23)16(17)13-25-20-9-5-4-8-19(20)24-12-21(25)26/h1-12H,13H2
InChIKeyBCWLCTYHLZOAFL-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.39
Rot. Bonds3

About 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one

1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one (PubChem CID 118940765) has the molecular formula C21H14F2N2O and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one
PubChem CID118940765
Molecular FormulaC21H14F2N2O
Molecular Weight348.35 g/mol
Exact Mass348.11
IUPAC Name1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C21H14F2N2O/c22-17-10-15(14-6-2-1-3-7-14)11-18(23)16(17)13-25-20-9-5-4-8-19(20)24-12-21(25)26/h1-12H,13H2
InChIKeyBCWLCTYHLZOAFL-UHFFFAOYSA-N
XLogP4.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,6-difluoro-4-phenylphenyl)methyl]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

Related Compounds

1-[[2,6-difluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
CID 144741980
1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
CID 86298474
1-[[2,6-difluoro-4-(3-methyl-2H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one;molecular hydrogen
CID 144741969
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
CID 64765379
1-[(2-amino-6-bromophenyl)methyl]quinoxalin-2-one
CID 43349699
1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
5-methyl-4-[(2-oxoquinoxalin-1-yl)methyl]thiophene-2-carboxylic acid
CID 80724661
1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
CID 2525579
2-methyl-5-[(2-oxoquinoxalin-1-yl)methyl]furan-3-carboxylic acid
CID 43477306

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one (CID 118940765) is 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one is O=c1cnc2ccccc2n1Cc1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one?
The InChIKey is BCWLCTYHLZOAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O/c22-17-10-15(14-6-2-1-3-7-14)11-18(23)16(17)13-25-20-9-5-4-8-19(20)24-12-21(25)26/h1-12H,13H2.
What are the key properties of 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one?
1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one has a molecular weight of 348.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluoro-4-phenylphenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 118940765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).