1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine

C22H29N3O — CID 125043341

About 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine

1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine (PubChem CID 125043341) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine.

Molecular Properties

• Compound Name: 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine
• PubChem CID: 125043341
• Molecular Formula: C22H29N3O
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.23
• IUPAC Name: 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine
• SMILES: CCN1c2cc(C)c(/C=N/c3ccc(OC)nc3)cc2[C@H](C)CC1(C)C
• InChI: InChI=1S/C22H29N3O/c1-7-25-20-10-15(2)17(11-19(20)16(3)12-22(25,4)5)13-23-18-8-9-21(26-6)24-14-18/h8-11,13-14,16H,7,12H2,1-6H3/b23-13+/t16-/m1/s1
• InChIKey: JNIUSBPRSHIOHR-DXRSZSRVSA-N
• XLogP: 5.26
• TPSA: 37.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	5.26
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-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine?

The IUPAC name of 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine (CID 125043341) is 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine.

What is the SMILES notation for 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine?

The canonical SMILES for 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine is CCN1c2cc(C)c(/C=N/c3ccc(OC)nc3)cc2[C@H](C)CC1(C)C.

What is the InChIKey of 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine?

The InChIKey is JNIUSBPRSHIOHR-DXRSZSRVSA-N. The full InChI is InChI=1S/C22H29N3O/c1-7-25-20-10-15(2)17(11-19(20)16(3)12-22(25,4)5)13-23-18-8-9-21(26-6)24-14-18/h8-11,13-14,16H,7,12H2,1-6H3/b23-13+/t16-/m1/s1.

What are the key properties of 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine?

1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine has a molecular weight of 351.49 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine is sourced from PubChem (CID 125043341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).