2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone

C16H10BrFN2O — CID 105090838

IUPAC2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccc(Br)cc1F)c1cccc2nccnc12
InChIInChI=1S/C16H10BrFN2O/c17-11-5-4-10(13(18)9-11)8-15(21)12-2-1-3-14-16(12)20-7-6-19-14/h1-7,9H,8H2
InChIKeyVHKGJGCUILCSKB-UHFFFAOYSA-N
MW345.17 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone

2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone (PubChem CID 105090838) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone
PubChem CID105090838
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccc(Br)cc1F)c1cccc2nccnc12
InChIInChI=1S/C16H10BrFN2O/c17-11-5-4-10(13(18)9-11)8-15(21)12-2-1-3-14-16(12)20-7-6-19-14/h1-7,9H,8H2
InChIKeyVHKGJGCUILCSKB-UHFFFAOYSA-N
XLogP3.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
1,10-Phenanthrolin-4-ol
CID 3735617
3-Phenylquinoxaline-5-carboxamide
CID 11184249
3-bromo-4-methyl-N-quinolin-8-ylbenzamide
CID 902789
4-fluoro-N-(quinolin-8-yl)benzamide
CID 790260
3-Bromo-1-phenacyl-quinolinium bromide
CID 2841003
2-bromo-N-quinolin-8-ylbenzamide
CID 749479
N-(5-Fluoro-2-methylphenyl)-5-quinoxalinecarboxamide
CID 653641
5-bromo-N-(8-quinolinyl)nicotinamide
CID 837055
2-(4-bromophenyl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 4175928
Quinolinium, 1-[2-(4-bromophenyl)-2-oxoethyl]-, bromide
CID 10669105

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone (CID 105090838) is 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone is O=C(Cc1ccc(Br)cc1F)c1cccc2nccnc12.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone?
The InChIKey is VHKGJGCUILCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-11-5-4-10(13(18)9-11)8-15(21)12-2-1-3-14-16(12)20-7-6-19-14/h1-7,9H,8H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone?
2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone has a molecular weight of 345.17 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105090838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).