2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile

C15H18N4 — CID 142873933

IUPAC2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile
SMILESCCNCCCNc1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C15H18N4/c1-2-17-8-3-9-18-15-7-5-13-10-12(11-16)4-6-14(13)19-15/h4-7,10,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyVIAKYOWHEWOMIK-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.52
Rot. Bonds6

About 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile

2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile (PubChem CID 142873933) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile
PubChem CID142873933
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile
SMILESCCNCCCNc1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C15H18N4/c1-2-17-8-3-9-18-15-7-5-13-10-12(11-16)4-6-14(13)19-15/h4-7,10,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyVIAKYOWHEWOMIK-UHFFFAOYSA-N
XLogP2.52
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(ethylamino)propylamino]quinoline-6-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-[3-(ethylamino)propylamino]quinoline-6-carbonitrile?
The IUPAC name of 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile (CID 142873933) is 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile?
The canonical SMILES for 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile is CCNCCCNc1ccc2cc(C#N)ccc2n1.
What is the InChIKey of 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile?
The InChIKey is VIAKYOWHEWOMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-17-8-3-9-18-15-7-5-13-10-12(11-16)4-6-14(13)19-15/h4-7,10,17H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile?
2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 142873933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).