2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H20N4 — CID 55104257

IUPAC2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CNCCN1c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H20N4/c1-11-10-17-6-7-19(11)15-13(9-16)8-12-4-2-3-5-14(12)18-15/h8,11,17H,2-7,10H2,1H3
InChIKeyIPNHWOHGOHJAPN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.63
Rot. Bonds1

About 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 55104257) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID55104257
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CNCCN1c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C15H20N4/c1-11-10-17-6-7-19(11)15-13(9-16)8-12-4-2-3-5-14(12)18-15/h8,11,17H,2-7,10H2,1H3
InChIKeyIPNHWOHGOHJAPN-UHFFFAOYSA-N
XLogP1.63
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 55104257) is 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1CNCCN1c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is IPNHWOHGOHJAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-10-17-6-7-19(11)15-13(9-16)8-12-4-2-3-5-14(12)18-15/h8,11,17H,2-7,10H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 55104257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).