2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine

C20H28N4 — CID 157447950

IUPAC2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCn1c(CCCC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C20H28N4/c1-3-5-7-10-14-24-17(13-6-4-2)23-18-19(24)15-11-8-9-12-16(15)22-20(18)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3,(H2,21,22)
InChIKeyPBEICCRXXVQDAQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.09
Rot. Bonds8

About 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine (PubChem CID 157447950) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
PubChem CID157447950
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCCCn1c(CCCC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C20H28N4/c1-3-5-7-10-14-24-17(13-6-4-2)23-18-19(24)15-11-8-9-12-16(15)22-20(18)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3,(H2,21,22)
InChIKeyPBEICCRXXVQDAQ-UHFFFAOYSA-N
XLogP5.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)heptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 163909468
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
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-hexylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine (CID 157447950) is 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine is CCCCCCn1c(CCCC)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is PBEICCRXXVQDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-3-5-7-10-14-24-17(13-6-4-2)23-18-19(24)15-11-8-9-12-16(15)22-20(18)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3,(H2,21,22).
What are the key properties of 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine?
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 157447950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).