2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile

C16H15N3 — CID 106314206

IUPAC2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile
SMILESCC1=CCCN(c2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C16H15N3/c1-12-5-4-8-19(11-12)16-14(10-17)9-13-6-2-3-7-15(13)18-16/h2-3,5-7,9H,4,8,11H2,1H3
InChIKeyGUUQGLXOJDYVTR-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.26
Rot. Bonds1

About 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile

2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile (PubChem CID 106314206) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile
PubChem CID106314206
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile
SMILESCC1=CCCN(c2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C16H15N3/c1-12-5-4-8-19(11-12)16-14(10-17)9-13-6-2-3-7-15(13)18-16/h2-3,5-7,9H,4,8,11H2,1H3
InChIKeyGUUQGLXOJDYVTR-UHFFFAOYSA-N
XLogP3.26
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile (CID 106314206) is 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile is CC1=CCCN(c2nc3ccccc3cc2C#N)C1.
What is the InChIKey of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile?
The InChIKey is GUUQGLXOJDYVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-5-4-8-19(11-12)16-14(10-17)9-13-6-2-3-7-15(13)18-16/h2-3,5-7,9H,4,8,11H2,1H3.
What are the key properties of 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile?
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 106314206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).