4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile

C17H18N4 — CID 107489421

IUPAC4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCCC1=CCNCC1
InChIInChI=1S/C17H18N4/c18-11-14-12-21-16-4-2-1-3-15(16)17(14)20-10-7-13-5-8-19-9-6-13/h1-5,12,19H,6-10H2,(H,20,21)
InChIKeySNLONEBBOSDZHG-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.83
Rot. Bonds4

About 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile

4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile (PubChem CID 107489421) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile
PubChem CID107489421
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCCC1=CCNCC1
InChIInChI=1S/C17H18N4/c18-11-14-12-21-16-4-2-1-3-15(16)17(14)20-10-7-13-5-8-19-9-6-13/h1-5,12,19H,6-10H2,(H,20,21)
InChIKeySNLONEBBOSDZHG-UHFFFAOYSA-N
XLogP2.83
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile (CID 107489421) is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCCC1=CCNCC1.
What is the InChIKey of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?
The InChIKey is SNLONEBBOSDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-11-14-12-21-16-4-2-1-3-15(16)17(14)20-10-7-13-5-8-19-9-6-13/h1-5,12,19H,6-10H2,(H,20,21).
What are the key properties of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 107489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).