N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide

C49H59BrN10O5S2 — CID 161181757

About N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide (PubChem CID 161181757) has the molecular formula C49H59BrN10O5S2 and a molecular weight of 1012.11 g/mol. Its IUPAC name is N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide
• PubChem CID: 161181757
• Molecular Formula: C49H59BrN10O5S2
• Molecular Weight: 1012.11 g/mol
• Exact Mass: 1010.33
• IUPAC Name: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1cc(Br)ccc1OC.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C25H30BrN5O3S.C24H29N5O2S/c1-3-4-11-22-30-23-24(18-9-5-6-10-19(18)29-25(23)27)31(22)15-8-7-14-28-35(32,33)21-16-17(26)12-13-20(21)34-2;1-2-3-15-21-28-22-23(19-13-7-8-14-20(19)27-24(22)25)29(21)17-10-9-16-26-32(30,31)18-11-5-4-6-12-18/h5-6,9-10,12-13,16,28H,3-4,7-8,11,14-15H2,1-2H3,(H2,27,29);4-8,11-14,26H,2-3,9-10,15-17H2,1H3,(H2,25,27)
• InChIKey: USNYPIWEOUYXKQ-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 215.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.11
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide?

The IUPAC name of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide (CID 161181757) is N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide.

What is the SMILES notation for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide?

The canonical SMILES for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1cc(Br)ccc1OC.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1.

What is the InChIKey of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide?

The InChIKey is USNYPIWEOUYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN5O3S.C24H29N5O2S/c1-3-4-11-22-30-23-24(18-9-5-6-10-19(18)29-25(23)27)31(22)15-8-7-14-28-35(32,33)21-16-17(26)12-13-20(21)34-2;1-2-3-15-21-28-22-23(19-13-7-8-14-20(19)27-24(22)25)29(21)17-10-9-16-26-32(30,31)18-11-5-4-6-12-18/h5-6,9-10,12-13,16,28H,3-4,7-8,11,14-15H2,1-2H3,(H2,27,29);4-8,11-14,26H,2-3,9-10,15-17H2,1H3,(H2,25,27).

What are the key properties of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide?

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide has a molecular weight of 1012.11 g/mol, XLogP of 9.31, 21 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 161181757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).