6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one

C12H13ClN4O — CID 59995581

IUPAC6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2nc1N1CCNCC1
InChIInChI=1S/C12H13ClN4O/c13-8-1-2-9-10(7-8)15-11(12(18)16-9)17-5-3-14-4-6-17/h1-2,7,14H,3-6H2,(H,16,18)
InChIKeyUBETXOSJROTRLV-UHFFFAOYSA-N
MW264.72 g/mol
LogP0.99
Rot. Bonds1

About 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one

6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one (PubChem CID 59995581) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one
PubChem CID59995581
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2nc1N1CCNCC1
InChIInChI=1S/C12H13ClN4O/c13-8-1-2-9-10(7-8)15-11(12(18)16-9)17-5-3-14-4-6-17/h1-2,7,14H,3-6H2,(H,16,18)
InChIKeyUBETXOSJROTRLV-UHFFFAOYSA-N
XLogP0.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one?
The IUPAC name of 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one (CID 59995581) is 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one?
The canonical SMILES for 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one is O=c1[nH]c2ccc(Cl)cc2nc1N1CCNCC1.
What is the InChIKey of 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one?
The InChIKey is UBETXOSJROTRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-8-1-2-9-10(7-8)15-11(12(18)16-9)17-5-3-14-4-6-17/h1-2,7,14H,3-6H2,(H,16,18).
What are the key properties of 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one?
6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one has a molecular weight of 264.72 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 59995581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).