3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate

C26H30N6O2 — CID 156744201

About 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate

3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate (PubChem CID 156744201) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate.

Molecular Properties

• Compound Name: 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
• PubChem CID: 156744201
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate
• SMILES: CNCCN(C)CCCOC(=O)c1cnc2ccc(-c3nc[nH]c3-c3cccc(C)n3)cc2c1
• InChI: InChI=1S/C26H30N6O2/c1-18-6-4-7-23(31-18)25-24(29-17-30-25)19-8-9-22-20(14-19)15-21(16-28-22)26(33)34-13-5-11-32(3)12-10-27-2/h4,6-9,14-17,27H,5,10-13H2,1-3H3,(H,29,30)
• InChIKey: FADVQTYDSHCRNA-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?

The IUPAC name of 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate (CID 156744201) is 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate.

What is the SMILES notation for 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?

The canonical SMILES for 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate is CNCCN(C)CCCOC(=O)c1cnc2ccc(-c3nc[nH]c3-c3cccc(C)n3)cc2c1.

What is the InChIKey of 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?

The InChIKey is FADVQTYDSHCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-18-6-4-7-23(31-18)25-24(29-17-30-25)19-8-9-22-20(14-19)15-21(16-28-22)26(33)34-13-5-11-32(3)12-10-27-2/h4,6-9,14-17,27H,5,10-13H2,1-3H3,(H,29,30).

What are the key properties of 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate?

3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate has a molecular weight of 458.57 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl-[2-(methylamino)ethyl]amino]propyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate is sourced from PubChem (CID 156744201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).