7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C25H25N3O3 — CID 2906710

About 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2906710) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
• PubChem CID: 2906710
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
• SMILES: CCOc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OC
• InChI: InChI=1S/C25H25N3O3/c1-4-31-20-10-8-18(15-21(20)30-3)23(28-22-14-16(2)11-13-26-22)19-9-7-17-6-5-12-27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)
• InChIKey: XVTIDQOMNUCNHZ-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 76.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The IUPAC name of 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2906710) is 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

What is the SMILES notation for 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The canonical SMILES for 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is CCOc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1OC.

What is the InChIKey of 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The InChIKey is XVTIDQOMNUCNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-4-31-20-10-8-18(15-21(20)30-3)23(28-22-14-16(2)11-13-26-22)19-9-7-17-6-5-12-27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28).

What are the key properties of 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 415.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-ethoxy-3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2906710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).