3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide

C24H30N6O2S — CID 68799279

IUPAC3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1c(N)cccc1S(N)(=O)=O
InChIInChI=1S/C24H30N6O2S/c1-2-3-14-21-29-22-23(17-10-4-5-12-19(17)28-24(22)26)30(21)15-7-6-9-16-18(25)11-8-13-20(16)33(27,31)32/h4-5,8,10-13H,2-3,6-7,9,14-15,25H2,1H3,(H2,26,28)(H2,27,31,32)
InChIKeySOCAKEFZOJGHRM-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.76
Rot. Bonds9

About 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide

3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide (PubChem CID 68799279) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
PubChem CID68799279
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC Name3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1c(N)cccc1S(N)(=O)=O
InChIInChI=1S/C24H30N6O2S/c1-2-3-14-21-29-22-23(17-10-4-5-12-19(17)28-24(22)26)30(21)15-7-6-9-16-18(25)11-8-13-20(16)33(27,31)32/h4-5,8,10-13H,2-3,6-7,9,14-15,25H2,1H3,(H2,26,28)(H2,27,31,32)
InChIKeySOCAKEFZOJGHRM-UHFFFAOYSA-N
XLogP3.76
TPSA142.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide
CID 68801702
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride
CID 22491707
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292
2-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-8-sulfonamide
CID 68800168
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
2-butyl-1-[4-[(2,3,4,5,6-pentamethylphenyl)sulfanylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 142033105
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide (CID 68799279) is 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1c(N)cccc1S(N)(=O)=O.
What is the InChIKey of 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
The InChIKey is SOCAKEFZOJGHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-2-3-14-21-29-22-23(17-10-4-5-12-19(17)28-24(22)26)30(21)15-7-6-9-16-18(25)11-8-13-20(16)33(27,31)32/h4-5,8,10-13H,2-3,6-7,9,14-15,25H2,1H3,(H2,26,28)(H2,27,31,32).
What are the key properties of 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide?
3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide has a molecular weight of 466.61 g/mol, XLogP of 3.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 68799279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).