2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile

C20H19N5 — CID 171334885

IUPAC2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCN(Cc3ccncc3)CC2)nc2ccccc12
InChIInChI=1S/C20H19N5/c21-14-17-13-20(23-19-4-2-1-3-18(17)19)25-11-9-24(10-12-25)15-16-5-7-22-8-6-16/h1-8,13H,9-12,15H2
InChIKeyNOTZPYQPCVIFOZ-UHFFFAOYSA-N
MW329.41 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile

2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile (PubChem CID 171334885) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
PubChem CID171334885
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCN(Cc3ccncc3)CC2)nc2ccccc12
InChIInChI=1S/C20H19N5/c21-14-17-13-20(23-19-4-2-1-3-18(17)19)25-11-9-24(10-12-25)15-16-5-7-22-8-6-16/h1-8,13H,9-12,15H2
InChIKeyNOTZPYQPCVIFOZ-UHFFFAOYSA-N
XLogP2.82
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile (CID 171334885) is 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CCN(Cc3ccncc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile?
The InChIKey is NOTZPYQPCVIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c21-14-17-13-20(23-19-4-2-1-3-18(17)19)25-11-9-24(10-12-25)15-16-5-7-22-8-6-16/h1-8,13H,9-12,15H2.
What are the key properties of 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile?
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile has a molecular weight of 329.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 171334885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).