2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline

C20H16F6N4 — CID 2822627

IUPAC2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline
SMILESFC(F)(F)c1ccc(N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)nc1
InChIInChI=1S/C20H16F6N4/c21-19(22,23)13-5-6-18(27-12-13)30-9-7-29(8-10-30)16-11-17(20(24,25)26)28-15-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2
InChIKeyOLARZEVXLAECKR-UHFFFAOYSA-N
MW426.36 g/mol
LogP4.99
Rot. Bonds2

About 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline

2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline (PubChem CID 2822627) has the molecular formula C20H16F6N4 and a molecular weight of 426.36 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline
PubChem CID2822627
Molecular FormulaC20H16F6N4
Molecular Weight426.36 g/mol
Exact Mass426.13
IUPAC Name2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline
SMILESFC(F)(F)c1ccc(N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)nc1
InChIInChI=1S/C20H16F6N4/c21-19(22,23)13-5-6-18(27-12-13)30-9-7-29(8-10-30)16-11-17(20(24,25)26)28-15-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2
InChIKeyOLARZEVXLAECKR-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline?
The IUPAC name of 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline (CID 2822627) is 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline?
The canonical SMILES for 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline is FC(F)(F)c1ccc(N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)nc1.
What is the InChIKey of 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline?
The InChIKey is OLARZEVXLAECKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4/c21-19(22,23)13-5-6-18(27-12-13)30-9-7-29(8-10-30)16-11-17(20(24,25)26)28-15-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2.
What are the key properties of 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline?
2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline has a molecular weight of 426.36 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 2822627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).