1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one

C26H28N4O2 — CID 70656664

About 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one

1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one (PubChem CID 70656664) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one.

Molecular Properties

• Compound Name: 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one
• PubChem CID: 70656664
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one
• SMILES: Cn1c(=O)cc(OCCCN(CCc2cccnc2)Cc2ccncc2)c2ccccc21
• InChI: InChI=1S/C26H28N4O2/c1-29-24-8-3-2-7-23(24)25(18-26(29)31)32-17-5-15-30(20-22-9-13-27-14-10-22)16-11-21-6-4-12-28-19-21/h2-4,6-10,12-14,18-19H,5,11,15-17,20H2,1H3
• InChIKey: JGJAIQKBEWPEFI-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one?

The IUPAC name of 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one (CID 70656664) is 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one.

What is the SMILES notation for 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one?

The canonical SMILES for 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one is Cn1c(=O)cc(OCCCN(CCc2cccnc2)Cc2ccncc2)c2ccccc21.

What is the InChIKey of 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one?

The InChIKey is JGJAIQKBEWPEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29-24-8-3-2-7-23(24)25(18-26(29)31)32-17-5-15-30(20-22-9-13-27-14-10-22)16-11-21-6-4-12-28-19-21/h2-4,6-10,12-14,18-19H,5,11,15-17,20H2,1H3.

What are the key properties of 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one?

1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one has a molecular weight of 428.54 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one is sourced from PubChem (CID 70656664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).