7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one

C12H12F2N4O — CID 59995586

IUPAC7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2c(F)c(F)ccc2nc1N1CCNCC1
InChIInChI=1S/C12H12F2N4O/c13-7-1-2-8-10(9(7)14)17-12(19)11(16-8)18-5-3-15-4-6-18/h1-2,15H,3-6H2,(H,17,19)
InChIKeyFWXNDAAMQJZBTA-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.61
Rot. Bonds1

About 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one

7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one (PubChem CID 59995586) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one
PubChem CID59995586
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2c(F)c(F)ccc2nc1N1CCNCC1
InChIInChI=1S/C12H12F2N4O/c13-7-1-2-8-10(9(7)14)17-12(19)11(16-8)18-5-3-15-4-6-18/h1-2,15H,3-6H2,(H,17,19)
InChIKeyFWXNDAAMQJZBTA-UHFFFAOYSA-N
XLogP0.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one
CID 59995581
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
3-ethyl-6-fluoro-2-piperazin-1-ylquinoline
CID 121236550
1-(2,3,4-trifluorophenyl)piperazine;hydrochloride
CID 90330803
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 59995572
6-nitro-2,3-di(piperazin-1-yl)quinoxaline
CID 5009613
6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 59995579
8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 163325141
8-fluoro-3-(3-fluorocyclobutyl)-7-methyl-1H-quinoxalin-2-one
CID 169110487
4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
CID 84629087
2-methyl-4-piperazin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 84682986

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one?
The IUPAC name of 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one (CID 59995586) is 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one?
The canonical SMILES for 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one is O=c1[nH]c2c(F)c(F)ccc2nc1N1CCNCC1.
What is the InChIKey of 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one?
The InChIKey is FWXNDAAMQJZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-7-1-2-8-10(9(7)14)17-12(19)11(16-8)18-5-3-15-4-6-18/h1-2,15H,3-6H2,(H,17,19).
What are the key properties of 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one?
7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one has a molecular weight of 266.25 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 59995586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).