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

C23H31N3O — CID 125043228

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

N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine (PubChem CID 125043228) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine.

Molecular Properties

• Compound Name: N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
• PubChem CID: 125043228
• Molecular Formula: C23H31N3O
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.25
• IUPAC Name: N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
• SMILES: COc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cn1
• InChI: InChI=1S/C23H31N3O/c1-15(2)26-21-10-16(3)18(11-20(21)17(4)12-23(26,5)6)13-24-19-8-9-22(27-7)25-14-19/h8-11,13-15,17H,12H2,1-7H3/b24-13+/t17-/m1/s1
• InChIKey: GRGJAPCHFFKEQJ-ZRWQFTNJSA-N
• XLogP: 5.65
• TPSA: 37.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	5.65
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 N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine?

The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine (CID 125043228) is N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine.

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

The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine is COc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cn1.

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

The InChIKey is GRGJAPCHFFKEQJ-ZRWQFTNJSA-N. The full InChI is InChI=1S/C23H31N3O/c1-15(2)26-21-10-16(3)18(11-20(21)17(4)12-23(26,5)6)13-24-19-8-9-22(27-7)25-14-19/h8-11,13-15,17H,12H2,1-7H3/b24-13+/t17-/m1/s1.

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

N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine has a molecular weight of 365.52 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-3-pyridinyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine is sourced from PubChem (CID 125043228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).