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

C24H31ClN6O2S — CID 22491707

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

3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride (PubChem CID 22491707) has the molecular formula C24H31ClN6O2S and a molecular weight of 503.07 g/mol. Its IUPAC name is 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride
• PubChem CID: 22491707
• Molecular Formula: C24H31ClN6O2S
• Molecular Weight: 503.07 g/mol
• Exact Mass: 502.19
• IUPAC Name: 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNc1cccc(S(N)(=O)=O)c1.Cl
• InChI: InChI=1S/C24H30N6O2S.ClH/c1-2-3-13-21-29-22-23(19-11-4-5-12-20(19)28-24(22)25)30(21)15-7-6-14-27-17-9-8-10-18(16-17)33(26,31)32;/h4-5,8-12,16,27H,2-3,6-7,13-15H2,1H3,(H2,25,28)(H2,26,31,32);1H
• InChIKey: FHBAFLRDHQLXHV-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 128.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.07
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride?

The IUPAC name of 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride (CID 22491707) is 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride.

What is the SMILES notation for 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride?

The canonical SMILES for 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNc1cccc(S(N)(=O)=O)c1.Cl.

What is the InChIKey of 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride?

The InChIKey is FHBAFLRDHQLXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S.ClH/c1-2-3-13-21-29-22-23(19-11-4-5-12-20(19)28-24(22)25)30(21)15-7-6-14-27-17-9-8-10-18(16-17)33(26,31)32;/h4-5,8-12,16,27H,2-3,6-7,13-15H2,1H3,(H2,25,28)(H2,26,31,32);1H.

What are the key properties of 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride?

3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride has a molecular weight of 503.07 g/mol, XLogP of 4.47, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 22491707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).