N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine

C₁₈H₂₂N₄O₂ — CID 31196666

About N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine

N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine (PubChem CID 31196666) has the molecular formula C₁₈H₂₂N₄O₂ and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine.

Molecular Properties

• Compound Name: N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine
• PubChem CID: 31196666
• Molecular Formula: C₁₈H₂₂N₄O₂
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.17
• IUPAC Name: N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine
• SMILES: COc1cc(OC)c2c(C)cc(NCCCn3ccnc3)nc2c1
• InChI: InChI=1S/C18H22N4O2/c1-13-9-17(20-5-4-7-22-8-6-19-12-22)21-15-10-14(23-2)11-16(24-3)18(13)15/h6,8-12H,4-5,7H2,1-3H3,(H,20,21)
• InChIKey: SJQZPZBQGSROQZ-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 61.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
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 N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?

The IUPAC name of N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine (CID 31196666) is N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine.

What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?

The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine is COc1cc(OC)c2c(C)cc(NCCCn3ccnc3)nc2c1.

What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?

The InChIKey is SJQZPZBQGSROQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-9-17(20-5-4-7-22-8-6-19-12-22)21-15-10-14(23-2)11-16(24-3)18(13)15/h6,8-12H,4-5,7H2,1-3H3,(H,20,21).

What are the key properties of N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine?

N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-imidazol-1-ylpropyl)-5,7-dimethoxy-4-methylquinolin-2-amine is sourced from PubChem (CID 31196666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 31196666 — identifiers, structure, computed properties (public domain)

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