2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine

C35H48N10 — CID 68879950

About 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine

2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine (PubChem CID 68879950) has the molecular formula C35H48N10 and a molecular weight of 608.84 g/mol. Its IUPAC name is 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
• PubChem CID: 68879950
• Molecular Formula: C35H48N10
• Molecular Weight: 608.84 g/mol
• Exact Mass: 608.41
• IUPAC Name: 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
• SMILES: CCCCNc1nc2c(N)nc3ccccc3c2n1CC(C)C.CCCNc1nc2c(N)nc3ccccc3c2n1CC(C)C
• InChI: InChI=1S/C18H25N5.C17H23N5/c1-4-5-10-20-18-22-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)21-17(15)19;1-4-9-19-17-21-14-15(22(17)10-11(2)3)12-7-5-6-8-13(12)20-16(14)18/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,21)(H,20,22);5-8,11H,4,9-10H2,1-3H3,(H2,18,20)(H,19,21)
• InChIKey: PYBAWPLIICKNBU-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 137.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.84
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

The IUPAC name of 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine (CID 68879950) is 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine.

What is the SMILES notation for 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

The canonical SMILES for 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine is CCCCNc1nc2c(N)nc3ccccc3c2n1CC(C)C.CCCNc1nc2c(N)nc3ccccc3c2n1CC(C)C.

What is the InChIKey of 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

The InChIKey is PYBAWPLIICKNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.C17H23N5/c1-4-5-10-20-18-22-15-16(23(18)11-12(2)3)13-8-6-7-9-14(13)21-17(15)19;1-4-9-19-17-21-14-15(22(17)10-11(2)3)12-7-5-6-8-13(12)20-16(14)18/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,21)(H,20,22);5-8,11H,4,9-10H2,1-3H3,(H2,18,20)(H,19,21).

What are the key properties of 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine has a molecular weight of 608.84 g/mol, XLogP of 7.68, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine;1-(2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine is sourced from PubChem (CID 68879950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).