7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C25H25N3O2 — CID 15993745

About 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 15993745) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

• Compound Name: 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
• PubChem CID: 15993745
• Molecular Formula: C25H25N3O2
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.19
• IUPAC Name: 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
• SMILES: COc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1C
• InChI: InChI=1S/C25H25N3O2/c1-15-14-19(11-13-21(15)30-4)23(28-22-7-5-6-16(2)26-22)20-12-10-18-9-8-17(3)27-24(18)25(20)29/h5-14,23,29H,1-4H3,(H,26,28)
• InChIKey: FPFOOUOUSNGKNM-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 67.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

The IUPAC name of 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 15993745) is 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

What is the SMILES notation for 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

The canonical SMILES for 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is COc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)cc1C.

What is the InChIKey of 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

The InChIKey is FPFOOUOUSNGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-15-14-19(11-13-21(15)30-4)23(28-22-7-5-6-16(2)26-22)20-12-10-18-9-8-17(3)27-24(18)25(20)29/h5-14,23,29H,1-4H3,(H,26,28).

What are the key properties of 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 399.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-methoxy-3-methylphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 15993745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).