N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

C32H43N5 — CID 138645015

About N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 138645015) has the molecular formula C32H43N5 and a molecular weight of 497.73 g/mol. Its IUPAC name is N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
• PubChem CID: 138645015
• Molecular Formula: C32H43N5
• Molecular Weight: 497.73 g/mol
• Exact Mass: 497.35
• IUPAC Name: N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
• SMILES: CCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCCC2(C)CC2)cc1
• InChI: InChI=1S/C32H43N5/c1-6-7-12-27-35-28-29(25-10-8-9-11-26(25)34-30(28)36-31(2,3)4)37(27)22-24-15-13-23(14-16-24)21-33-20-19-32(5)17-18-32/h8-11,13-16,33H,6-7,12,17-22H2,1-5H3,(H,34,36)
• InChIKey: UXSODSXCENDYPO-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 54.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.73
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?

The IUPAC name of N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 138645015) is N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(NC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCCC2(C)CC2)cc1.

What is the InChIKey of N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?

The InChIKey is UXSODSXCENDYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5/c1-6-7-12-27-35-28-29(25-10-8-9-11-26(25)34-30(28)36-31(2,3)4)37(27)22-24-15-13-23(14-16-24)21-33-20-19-32(5)17-18-32/h8-11,13-16,33H,6-7,12,17-22H2,1-5H3,(H,34,36).

What are the key properties of N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine?

N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 497.73 g/mol, XLogP of 7.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-butyl-1-[[4-[[2-(1-methylcyclopropyl)ethylamino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 138645015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).