3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one

C15H10BrFN2O — CID 3293116

IUPAC3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1Cc1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFN2O/c16-10-5-6-11(17)9(7-10)8-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,19,20)
InChIKeyDNMAPNKNHNSDRJ-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.42
Rot. Bonds2

About 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one

3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one (PubChem CID 3293116) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one
PubChem CID3293116
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1Cc1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFN2O/c16-10-5-6-11(17)9(7-10)8-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,19,20)
InChIKeyDNMAPNKNHNSDRJ-UHFFFAOYSA-N
XLogP3.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one (CID 3293116) is 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1Cc1cc(Br)ccc1F.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one?
The InChIKey is DNMAPNKNHNSDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-10-5-6-11(17)9(7-10)8-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,19,20).
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one?
3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one has a molecular weight of 333.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 3293116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).