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

C43H54F2N10O4S2 — CID 160694543

About 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

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 (PubChem CID 160694543) has the molecular formula C43H54F2N10O4S2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160694543
• Molecular Formula: C43H54F2N10O4S2
• Molecular Weight: 877.10 g/mol
• Exact Mass: 876.37
• IUPAC Name: 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
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1c(F)cccc1F.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O
• InChI: InChI=1S/C24H27F2N5O2S.C19H27N5O2S/c1-2-3-13-20-30-21-22(16-9-4-5-12-19(16)29-24(21)27)31(20)15-7-6-14-28-34(32,33)23-17(25)10-8-11-18(23)26;1-3-4-11-16-23-17-18(14-9-5-6-10-15(14)22-19(17)20)24(16)13-8-7-12-21-27(2,25)26/h4-5,8-12,28H,2-3,6-7,13-15H2,1H3,(H2,27,29);5-6,9-10,21H,3-4,7-8,11-13H2,1-2H3,(H2,20,22)
• InChIKey: RPVHCBYPQDPAPN-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 205.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.10
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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]-2,6-difluorobenzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1c(F)cccc1F.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O.

What is the InChIKey of 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?

The InChIKey is RPVHCBYPQDPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2S.C19H27N5O2S/c1-2-3-13-20-30-21-22(16-9-4-5-12-19(16)29-24(21)27)31(20)15-7-6-14-28-34(32,33)23-17(25)10-8-11-18(23)26;1-3-4-11-16-23-17-18(14-9-5-6-10-15(14)22-19(17)20)24(16)13-8-7-12-21-27(2,25)26/h4-5,8-12,28H,2-3,6-7,13-15H2,1H3,(H2,27,29);5-6,9-10,21H,3-4,7-8,11-13H2,1-2H3,(H2,20,22).

What are the key properties of 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?

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 has a molecular weight of 877.10 g/mol, XLogP of 7.38, 19 rotatable bonds, 4 hydrogen bond donors, and 12 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]-2,6-difluorobenzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide is sourced from PubChem (CID 160694543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).