4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile

C17H20N4 — CID 63636825

IUPAC4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
SMILESCCN(c1c(C#N)cnc2ccccc12)C1CCCNC1
InChIInChI=1S/C17H20N4/c1-2-21(14-6-5-9-19-12-14)17-13(10-18)11-20-16-8-4-3-7-15(16)17/h3-4,7-8,11,14,19H,2,5-6,9,12H2,1H3
InChIKeyOZBVLUNJEKREQE-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.68
Rot. Bonds3

About 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile

4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile (PubChem CID 63636825) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
PubChem CID63636825
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
SMILESCCN(c1c(C#N)cnc2ccccc12)C1CCCNC1
InChIInChI=1S/C17H20N4/c1-2-21(14-6-5-9-19-12-14)17-13(10-18)11-20-16-8-4-3-7-15(16)17/h3-4,7-8,11,14,19H,2,5-6,9,12H2,1H3
InChIKeyOZBVLUNJEKREQE-UHFFFAOYSA-N
XLogP2.68
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile?
The IUPAC name of 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile (CID 63636825) is 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile is CCN(c1c(C#N)cnc2ccccc12)C1CCCNC1.
What is the InChIKey of 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile?
The InChIKey is OZBVLUNJEKREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-21(14-6-5-9-19-12-14)17-13(10-18)11-20-16-8-4-3-7-15(16)17/h3-4,7-8,11,14,19H,2,5-6,9,12H2,1H3.
What are the key properties of 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile?
4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 63636825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).