(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

C₁₆H₂₀N₂O — CID 106313883

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 106313883) has the molecular formula C₁₆H₂₀N₂O and a molecular weight of 256.35 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

• Compound Name: (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
• PubChem CID: 106313883
• Molecular Formula: C₁₆H₂₀N₂O
• Molecular Weight: 256.35 g/mol
• Exact Mass: 256.16
• IUPAC Name: (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
• SMILES: CC1=CCCN(C(=O)C2CCNc3ccccc32)C1
• InChI: InChI=1S/C16H20N2O/c1-12-5-4-10-18(11-12)16(19)14-8-9-17-15-7-3-2-6-13(14)15/h2-3,5-7,14,17H,4,8-11H2,1H3
• InChIKey: LFFBSIWAOJXSBV-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.35
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 106313883) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is CC1=CCCN(C(=O)C2CCNc3ccccc32)C1.

What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The InChIKey is LFFBSIWAOJXSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-4-10-18(11-12)16(19)14-8-9-17-15-7-3-2-6-13(14)15/h2-3,5-7,14,17H,4,8-11H2,1H3.

What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 106313883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106313883 — identifiers, structure, computed properties (public domain)

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