2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine

C97H129N13 — CID 162076130

About 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine

2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine (PubChem CID 162076130) has the molecular formula C97H129N13 and a molecular weight of 1477.19 g/mol. Its IUPAC name is 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine
• PubChem CID: 162076130
• Molecular Formula: C97H129N13
• Molecular Weight: 1477.19 g/mol
• Exact Mass: 1476.05
• IUPAC Name: 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine
• SMILES: CCCCc1nc2c(CC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCC(C)(C)C2CC2)cc1.CCCCc1nc2c(CC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCC2CCC2)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN(CC2CCC2)C(C)(C)C)cc1
• InChI: InChI=1S/C34H46N4.C32H42N4.C31H41N5/c1-7-8-13-30-37-31-29(20-33(2,3)4)36-28-12-10-9-11-27(28)32(31)38(30)22-25-16-14-24(15-17-25)21-35-23-34(5,6)26-18-19-26;1-5-6-14-29-35-30-28(19-32(2,3)4)34-27-13-8-7-12-26(27)31(30)36(29)22-25-17-15-24(16-18-25)21-33-20-23-10-9-11-23;1-5-6-14-27-34-28-29(25-12-7-8-13-26(25)33-30(28)32)36(27)21-24-17-15-23(16-18-24)20-35(31(2,3)4)19-22-10-9-11-22/h9-12,14-17,26,35H,7-8,13,18-23H2,1-6H3;7-8,12-13,15-18,23,33H,5-6,9-11,14,19-22H2,1-4H3;7-8,12-13,15-18,22H,5-6,9-11,14,19-21H2,1-4H3,(H2,32,33)
• InChIKey: ZBSNIEGFOGFMRQ-UHFFFAOYSA-N
• XLogP: 22.50
• TPSA: 145.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 30
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.19
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine?

The IUPAC name of 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine (CID 162076130) is 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine.

What is the SMILES notation for 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine?

The canonical SMILES for 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine is CCCCc1nc2c(CC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCC(C)(C)C2CC2)cc1.CCCCc1nc2c(CC(C)(C)C)nc3ccccc3c2n1Cc1ccc(CNCC2CCC2)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN(CC2CCC2)C(C)(C)C)cc1.

What is the InChIKey of 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine?

The InChIKey is ZBSNIEGFOGFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4.C32H42N4.C31H41N5/c1-7-8-13-30-37-31-29(20-33(2,3)4)36-28-12-10-9-11-27(28)32(31)38(30)22-25-16-14-24(15-17-25)21-35-23-34(5,6)26-18-19-26;1-5-6-14-29-35-30-28(19-32(2,3)4)34-27-13-8-7-12-26(27)31(30)36(29)22-25-17-15-24(16-18-25)21-33-20-23-10-9-11-23;1-5-6-14-27-34-28-29(25-12-7-8-13-26(25)33-30(28)32)36(27)21-24-17-15-23(16-18-24)20-35(31(2,3)4)19-22-10-9-11-22/h9-12,14-17,26,35H,7-8,13,18-23H2,1-6H3;7-8,12-13,15-18,23,33H,5-6,9-11,14,19-22H2,1-4H3;7-8,12-13,15-18,22H,5-6,9-11,14,19-21H2,1-4H3,(H2,32,33).

What are the key properties of 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine?

2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine has a molecular weight of 1477.19 g/mol, XLogP of 22.50, 30 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine is sourced from PubChem (CID 162076130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).