2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile

C15H17N5 — CID 83015311

IUPAC2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile
SMILESCN1CCN(Nc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C15H17N5/c1-19-6-8-20(9-7-19)18-15-10-12(11-16)13-4-2-3-5-14(13)17-15/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyHAJMXDLWRTWZAH-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.68
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile

2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile (PubChem CID 83015311) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile
PubChem CID83015311
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile
SMILESCN1CCN(Nc2cc(C#N)c3ccccc3n2)CC1
InChIInChI=1S/C15H17N5/c1-19-6-8-20(9-7-19)18-15-10-12(11-16)13-4-2-3-5-14(13)17-15/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyHAJMXDLWRTWZAH-UHFFFAOYSA-N
XLogP1.68
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile (CID 83015311) is 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile is CN1CCN(Nc2cc(C#N)c3ccccc3n2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile?
The InChIKey is HAJMXDLWRTWZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19-6-8-20(9-7-19)18-15-10-12(11-16)13-4-2-3-5-14(13)17-15/h2-5,10H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile?
2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 83015311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).