4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile

C15H16N4 — CID 55076424

IUPAC4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCC1CN(c2c(C#N)cnc3ccccc23)CCN1
InChIInChI=1S/C15H16N4/c1-11-10-19(7-6-17-11)15-12(8-16)9-18-14-5-3-2-4-13(14)15/h2-5,9,11,17H,6-7,10H2,1H3
InChIKeyITKUBQQEUDIJFL-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.90
Rot. Bonds1

About 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile

4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile (PubChem CID 55076424) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
PubChem CID55076424
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCC1CN(c2c(C#N)cnc3ccccc23)CCN1
InChIInChI=1S/C15H16N4/c1-11-10-19(7-6-17-11)15-12(8-16)9-18-14-5-3-2-4-13(14)15/h2-5,9,11,17H,6-7,10H2,1H3
InChIKeyITKUBQQEUDIJFL-UHFFFAOYSA-N
XLogP1.90
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile
CID 104976097
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-3-carbonitrile
CID 133323058
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761
2-[1-(3-cyanoquinolin-4-yl)azetidin-3-yl]propanoic acid
CID 116681957

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile (CID 55076424) is 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile is CC1CN(c2c(C#N)cnc3ccccc23)CCN1.
What is the InChIKey of 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The InChIKey is ITKUBQQEUDIJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-10-19(7-6-17-11)15-12(8-16)9-18-14-5-3-2-4-13(14)15/h2-5,9,11,17H,6-7,10H2,1H3.
What are the key properties of 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile?
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 55076424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).