6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

C13H14F2N4O — CID 59995572

IUPAC6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2nc3cc(F)c(F)cc3[nH]c2=O)CC1
InChIInChI=1S/C13H14F2N4O/c1-18-2-4-19(5-3-18)12-13(20)17-11-7-9(15)8(14)6-10(11)16-12/h6-7H,2-5H2,1H3,(H,17,20)
InChIKeyYMDMWIWULDEQRE-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.95
Rot. Bonds1

About 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (PubChem CID 59995572) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
PubChem CID59995572
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2nc3cc(F)c(F)cc3[nH]c2=O)CC1
InChIInChI=1S/C13H14F2N4O/c1-18-2-4-19(5-3-18)12-13(20)17-11-7-9(15)8(14)6-10(11)16-12/h6-7H,2-5H2,1H3,(H,17,20)
InChIKeyYMDMWIWULDEQRE-UHFFFAOYSA-N
XLogP0.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Diethylamino)-1,2-dihydroquinoxalin-2-one
CID 2410719
3-[(3-Methoxypropyl)amino]-1,2-dihydroquinoxalin-2-one
CID 2408944
3-[Cyclohexyl(methyl)amino]-1,2-dihydroquinoxalin-2-one
CID 2409060
3-(4-methylpiperazin-1-yl)quinoxalin-2(1H)-one
CID 12686479
6-chloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 44450493
3-(Phenylamino)quinoxalin-2-ol
CID 44403045
Ataquimast
CID 179341
3-(2-morpholin-4-ylethylamino)-1H-quinoxalin-2-one
CID 665072
3-(dimethylamino)-1-methyl-2(1H)-quinoxalinone
CID 1471092
3-Morpholin-4-yl-quinoxalin-2-ol
CID 2388925
3-(2-Aminoethylamino)-1-(1-cyclooctylpiperidin-4-yl)quinoxalin-2-one
CID 59450961
1-(1-Cyclooctylpiperidin-4-yl)-3-(prop-2-enylamino)quinoxalin-2-one
CID 59450998

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The IUPAC name of 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (CID 59995572) is 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is CN1CCN(c2nc3cc(F)c(F)cc3[nH]c2=O)CC1.
What is the InChIKey of 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The InChIKey is YMDMWIWULDEQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-18-2-4-19(5-3-18)12-13(20)17-11-7-9(15)8(14)6-10(11)16-12/h6-7H,2-5H2,1H3,(H,17,20).
What are the key properties of 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one has a molecular weight of 280.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 59995572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).