2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine

C28H37N5 — CID 167298983

IUPAC2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)Cc1ccc(CC)cc1
InChIInChI=1S/C28H37N5/c1-4-6-13-25-31-26-27(23-11-7-8-12-24(23)30-28(26)29)33(25)19-10-9-18-32(3)20-22-16-14-21(5-2)15-17-22/h7-8,11-12,14-17H,4-6,9-10,13,18-20H2,1-3H3,(H2,29,30)
InChIKeyKWMWZDOXNKMLFA-UHFFFAOYSA-N
MW443.64 g/mol
LogP5.98
Rot. Bonds11

About 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine

2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 167298983) has the molecular formula C28H37N5 and a molecular weight of 443.64 g/mol. Its IUPAC name is 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID167298983
Molecular FormulaC28H37N5
Molecular Weight443.64 g/mol
Exact Mass443.30
IUPAC Name2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)Cc1ccc(CC)cc1
InChIInChI=1S/C28H37N5/c1-4-6-13-25-31-26-27(23-11-7-8-12-24(23)30-28(26)29)33(25)19-10-9-18-32(3)20-22-16-14-21(5-2)15-17-22/h7-8,11-12,14-17H,4-6,9-10,13,18-20H2,1-3H3,(H2,29,30)
InChIKeyKWMWZDOXNKMLFA-UHFFFAOYSA-N
XLogP5.98
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-(1-methylpiperidin-4-yl)amino]methyl]phenyl]acetate
CID 25106691
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]methyl]phenyl]acetate
CID 25106692
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine (CID 167298983) is 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)Cc1ccc(CC)cc1.
What is the InChIKey of 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is KWMWZDOXNKMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5/c1-4-6-13-25-31-26-27(23-11-7-8-12-24(23)30-28(26)29)33(25)19-10-9-18-32(3)20-22-16-14-21(5-2)15-17-22/h7-8,11-12,14-17H,4-6,9-10,13,18-20H2,1-3H3,(H2,29,30).
What are the key properties of 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 443.64 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 167298983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).