N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide

C48H58N10O8S2 — CID 158474542

About N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide

N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 158474542) has the molecular formula C48H58N10O8S2 and a molecular weight of 967.19 g/mol. Its IUPAC name is N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide
• PubChem CID: 158474542
• Molecular Formula: C48H58N10O8S2
• Molecular Weight: 967.19 g/mol
• Exact Mass: 966.39
• IUPAC Name: N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide
• SMILES: COCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccc(OC)c(OC)c1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C25H31N5O5S.C23H27N5O3S/c1-33-15-12-22-29-23-24(18-8-4-5-9-19(18)28-25(23)26)30(22)14-7-6-13-27-36(31,32)17-10-11-20(34-2)21(16-17)35-3;1-31-16-13-20-27-21-22(18-11-5-6-12-19(18)26-23(21)24)28(20)15-8-7-14-25-32(29,30)17-9-3-2-4-10-17/h4-5,8-11,16,27H,6-7,12-15H2,1-3H3,(H2,26,28);2-6,9-12,25H,7-8,13-16H2,1H3,(H2,24,26)
• InChIKey: HGTRRXMLFWPYNP-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 242.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.19
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide?

The IUPAC name of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide (CID 158474542) is N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide.

What is the SMILES notation for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide?

The canonical SMILES for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide is COCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccc(OC)c(OC)c1.COCCc1nc2c(N)nc3ccccc3c2n1CCCCNS(=O)(=O)c1ccccc1.

What is the InChIKey of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide?

The InChIKey is HGTRRXMLFWPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5S.C23H27N5O3S/c1-33-15-12-22-29-23-24(18-8-4-5-9-19(18)28-25(23)26)30(22)14-7-6-13-27-36(31,32)17-10-11-20(34-2)21(16-17)35-3;1-31-16-13-20-27-21-22(18-11-5-6-12-19(18)26-23(21)24)28(20)15-8-7-14-25-32(29,30)17-9-3-2-4-10-17/h4-5,8-11,16,27H,6-7,12-15H2,1-3H3,(H2,26,28);2-6,9-12,25H,7-8,13-16H2,1H3,(H2,24,26).

What are the key properties of N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide?

N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 967.19 g/mol, XLogP of 6.25, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]benzenesulfonamide;N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 158474542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).