6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one

C13H15ClN4O — CID 59995579

IUPAC6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCC1CN(c2nc3cc(Cl)ccc3[nH]c2=O)CCN1
InChIInChI=1S/C13H15ClN4O/c1-8-7-18(5-4-15-8)12-13(19)17-10-3-2-9(14)6-11(10)16-12/h2-3,6,8,15H,4-5,7H2,1H3,(H,17,19)
InChIKeyHHJTVIHAPBIKBT-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.37
Rot. Bonds1

About 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one

6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one (PubChem CID 59995579) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one
PubChem CID59995579
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCC1CN(c2nc3cc(Cl)ccc3[nH]c2=O)CCN1
InChIInChI=1S/C13H15ClN4O/c1-8-7-18(5-4-15-8)12-13(19)17-10-3-2-9(14)6-11(10)16-12/h2-3,6,8,15H,4-5,7H2,1H3,(H,17,19)
InChIKeyHHJTVIHAPBIKBT-UHFFFAOYSA-N
XLogP1.37
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The IUPAC name of 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one (CID 59995579) is 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one is CC1CN(c2nc3cc(Cl)ccc3[nH]c2=O)CCN1.
What is the InChIKey of 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The InChIKey is HHJTVIHAPBIKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-7-18(5-4-15-8)12-13(19)17-10-3-2-9(14)6-11(10)16-12/h2-3,6,8,15H,4-5,7H2,1H3,(H,17,19).
What are the key properties of 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one has a molecular weight of 278.74 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 59995579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).