4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile

C20H22N6 — CID 84598886

IUPAC4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C20H22N6/c21-14-17-15-23-19-5-2-1-4-18(19)20(17)26-12-10-24(11-13-26)7-3-8-25-9-6-22-16-25/h1-2,4-6,9,15-16H,3,7-8,10-13H2
InChIKeyHDYFABXHHRNPSD-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.52
Rot. Bonds5

About 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile

4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 84598886) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID84598886
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C20H22N6/c21-14-17-15-23-19-5-2-1-4-18(19)20(17)26-12-10-24(11-13-26)7-3-8-25-9-6-22-16-25/h1-2,4-6,9,15-16H,3,7-8,10-13H2
InChIKeyHDYFABXHHRNPSD-UHFFFAOYSA-N
XLogP2.52
TPSA60.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 84598886) is 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N1CCN(CCCn2ccnc2)CC1.
What is the InChIKey of 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is HDYFABXHHRNPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c21-14-17-15-23-19-5-2-1-4-18(19)20(17)26-12-10-24(11-13-26)7-3-8-25-9-6-22-16-25/h1-2,4-6,9,15-16H,3,7-8,10-13H2.
What are the key properties of 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile?
4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 346.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 84598886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).