2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

C31H41N5 — CID 138645378

IUPAC2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN(CC2CCC2)C(C)(C)C)cc1
InChIInChI=1S/C31H41N5/c1-5-6-14-27-34-28-29(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/h7-8,12-13,15-18,22H,5-6,9-11,14,19-21H2,1-4H3,(H2,32,33)
InChIKeyFNZAPMQTJVMYLD-UHFFFAOYSA-N
MW483.70 g/mol
LogP6.96
Rot. Bonds9

About 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 138645378) has the molecular formula C31H41N5 and a molecular weight of 483.70 g/mol. Its IUPAC name is 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID138645378
Molecular FormulaC31H41N5
Molecular Weight483.70 g/mol
Exact Mass483.34
IUPAC Name2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN(CC2CCC2)C(C)(C)C)cc1
InChIInChI=1S/C31H41N5/c1-5-6-14-27-34-28-29(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/h7-8,12-13,15-18,22H,5-6,9-11,14,19-21H2,1-4H3,(H2,32,33)
InChIKeyFNZAPMQTJVMYLD-UHFFFAOYSA-N
XLogP6.96
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

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
2-butyl-1-[[4-[[tert-butyl(2-cyclopropylethyl)amino]methyl]naphthalen-1-yl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138645287
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexadecanamide
CID 138645202
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butyloctadecanamide
CID 138645359
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
2-butyl-1-[(4-nitrophenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 90146175
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556

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?
The IUPAC name of 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine (CID 138645378) is 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-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?
The canonical SMILES for 2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine is 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?
The InChIKey is FNZAPMQTJVMYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5/c1-5-6-14-27-34-28-29(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/h7-8,12-13,15-18,22H,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?
2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 483.70 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 138645378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).