6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile

C17H20N4 — CID 650739

IUPAC6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1
InChIInChI=1S/C17H20N4/c1-3-13-4-5-16-14(10-13)11-15(12-18)17(19-16)21-8-6-20(2)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyONTLHFHKQLGSNY-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.42
Rot. Bonds2

About 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile

6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile (PubChem CID 650739) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile
PubChem CID650739
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile
SMILESCCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1
InChIInChI=1S/C17H20N4/c1-3-13-4-5-16-14(10-13)11-15(12-18)17(19-16)21-8-6-20(2)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyONTLHFHKQLGSNY-UHFFFAOYSA-N
XLogP2.42
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile (CID 650739) is 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile is CCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1.
What is the InChIKey of 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
The InChIKey is ONTLHFHKQLGSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-13-4-5-16-14(10-13)11-15(12-18)17(19-16)21-8-6-20(2)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile?
6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 650739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).