5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline

C16H14F3N5 — CID 143957400

IUPAC5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
SMILESFC(F)(F)c1ccc2nc(N3CCNCC3)c3nccnc3c2c1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)10-1-2-12-11(9-10)13-14(22-4-3-21-13)15(23-12)24-7-5-20-6-8-24/h1-4,9,20H,5-8H2
InChIKeyZDHOBZZDFFYPBI-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.61
Rot. Bonds1

About 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline

5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline (PubChem CID 143957400) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline.

Molecular Properties

Compound Name5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
PubChem CID143957400
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
SMILESFC(F)(F)c1ccc2nc(N3CCNCC3)c3nccnc3c2c1
InChIInChI=1S/C16H14F3N5/c17-16(18,19)10-1-2-12-11(9-10)13-14(22-4-3-21-13)15(23-12)24-7-5-20-6-8-24/h1-4,9,20H,5-8H2
InChIKeyZDHOBZZDFFYPBI-UHFFFAOYSA-N
XLogP2.61
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline?
The IUPAC name of 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline (CID 143957400) is 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline.
What is the SMILES notation for 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline?
The canonical SMILES for 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline is FC(F)(F)c1ccc2nc(N3CCNCC3)c3nccnc3c2c1.
What is the InChIKey of 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline?
The InChIKey is ZDHOBZZDFFYPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c17-16(18,19)10-1-2-12-11(9-10)13-14(22-4-3-21-13)15(23-12)24-7-5-20-6-8-24/h1-4,9,20H,5-8H2.
What are the key properties of 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline?
5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline has a molecular weight of 333.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline is sourced from PubChem (CID 143957400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).