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

C24H28FN5O2S — CID 68801702

IUPAC2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C24H28FN5O2S/c1-2-3-11-21-29-22-23(18-9-4-5-10-19(18)28-24(22)26)30(21)14-7-6-8-16-15-17(25)12-13-20(16)33(27,31)32/h4-5,9-10,12-13,15H,2-3,6-8,11,14H2,1H3,(H2,26,28)(H2,27,31,32)
InChIKeyJIGBRBUSNYGFSZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.32
Rot. Bonds9

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

2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide (PubChem CID 68801702) has the molecular formula C24H28FN5O2S and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide
PubChem CID68801702
Molecular FormulaC24H28FN5O2S
Molecular Weight469.59 g/mol
Exact Mass469.19
IUPAC Name2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C24H28FN5O2S/c1-2-3-11-21-29-22-23(18-9-4-5-10-19(18)28-24(22)26)30(21)14-7-6-8-16-15-17(25)12-13-20(16)33(27,31)32/h4-5,9-10,12-13,15H,2-3,6-8,11,14H2,1H3,(H2,26,28)(H2,27,31,32)
InChIKeyJIGBRBUSNYGFSZ-UHFFFAOYSA-N
XLogP4.32
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
CID 68799279
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-[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
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-difluorobenzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
CID 160694543
(2,3,5,6-tetrafluorophenyl) 12-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-7-oxododecanoate
CID 158477509
[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-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide (CID 68801702) is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide?
The InChIKey is JIGBRBUSNYGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2S/c1-2-3-11-21-29-22-23(18-9-4-5-10-19(18)28-24(22)26)30(21)14-7-6-8-16-15-17(25)12-13-20(16)33(27,31)32/h4-5,9-10,12-13,15H,2-3,6-8,11,14H2,1H3,(H2,26,28)(H2,27,31,32).
What are the key properties of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide?
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide has a molecular weight of 469.59 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 68801702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).