1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine

C21H27N3O — CID 50860421

About 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine

1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine (PubChem CID 50860421) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine.

Molecular Properties

• Compound Name: 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine
• PubChem CID: 50860421
• Molecular Formula: C21H27N3O
• Molecular Weight: 337.47 g/mol
• Exact Mass: 337.22
• IUPAC Name: 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine
• SMILES: CCN1c2ccc(/C=N/c3ccc(OC)nc3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C21H27N3O/c1-6-24-19-9-7-16(11-18(19)15(2)12-21(24,3)4)13-22-17-8-10-20(25-5)23-14-17/h7-11,13-15H,6,12H2,1-5H3/b22-13+
• InChIKey: XCONEAGXVAWXDN-LPYMAVHISA-N
• XLogP: 4.95
• TPSA: 37.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.47
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine?

The IUPAC name of 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine (CID 50860421) is 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine.

What is the SMILES notation for 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine?

The canonical SMILES for 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine is CCN1c2ccc(/C=N/c3ccc(OC)nc3)cc2C(C)CC1(C)C.

What is the InChIKey of 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine?

The InChIKey is XCONEAGXVAWXDN-LPYMAVHISA-N. The full InChI is InChI=1S/C21H27N3O/c1-6-24-19-9-7-16(11-18(19)15(2)12-21(24,3)4)13-22-17-8-10-20(25-5)23-14-17/h7-11,13-15H,6,12H2,1-5H3/b22-13+.

What are the key properties of 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine?

1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine has a molecular weight of 337.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(6-methoxy-3-pyridinyl)methanimine is sourced from PubChem (CID 50860421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).