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

C14H15F3N4O — CID 59995568

IUPAC3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESCC1CN(c2nc3cc(C(F)(F)F)ccc3[nH]c2=O)CCN1
InChIInChI=1S/C14H15F3N4O/c1-8-7-21(5-4-18-8)12-13(22)20-10-3-2-9(14(15,16)17)6-11(10)19-12/h2-3,6,8,18H,4-5,7H2,1H3,(H,20,22)
InChIKeyARWSUTYOGAZQCN-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.74
Rot. Bonds1

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

3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one (PubChem CID 59995568) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
PubChem CID59995568
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESCC1CN(c2nc3cc(C(F)(F)F)ccc3[nH]c2=O)CCN1
InChIInChI=1S/C14H15F3N4O/c1-8-7-21(5-4-18-8)12-13(22)20-10-3-2-9(14(15,16)17)6-11(10)19-12/h2-3,6,8,18H,4-5,7H2,1H3,(H,20,22)
InChIKeyARWSUTYOGAZQCN-UHFFFAOYSA-N
XLogP1.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one (CID 59995568) is 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one is CC1CN(c2nc3cc(C(F)(F)F)ccc3[nH]c2=O)CCN1.
What is the InChIKey of 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
The InChIKey is ARWSUTYOGAZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-8-7-21(5-4-18-8)12-13(22)20-10-3-2-9(14(15,16)17)6-11(10)19-12/h2-3,6,8,18H,4-5,7H2,1H3,(H,20,22).
What are the key properties of 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one?
3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one has a molecular weight of 312.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperazin-1-yl)-6-(trifluoromethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 59995568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).