N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane

C115H135FN28O16S5 — CID 162219951

About N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane

N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane (PubChem CID 162219951) has the molecular formula C115H135FN28O16S5 and a molecular weight of 2344.86 g/mol. Its IUPAC name is N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane.

Molecular Properties

• Compound Name: N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane
• PubChem CID: 162219951
• Molecular Formula: C115H135FN28O16S5
• Molecular Weight: 2344.86 g/mol
• Exact Mass: 2342.92
• IUPAC Name: N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane
• SMILES: C.CCC(COCCC1CCN(S(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)CC1)n1cnc2c(N)nc3ccccc3c21.CCCCS(=O)(=O)NCCOCCn1cnc2c(N)nc3ccccc3c21.COc1ccc(S(=O)(=O)NCCOCCn2cnc3c(N)nc4ccccc4c32)cc1.Nc1nc2ccccc2c2c1ncn2CCOCCNS(=O)(=O)c1cccc(F)c1.Nc1nc2ccccc2c2c1ncn2CCOCCNS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C35H42N8O3S.C21H23N5O4S.C20H20FN5O3S.C20H21N5O3S.C18H25N5O3S.CH4/c1-4-28(43-24-37-33-34(43)31-7-5-6-8-32(31)38-35(33)36)23-46-22-19-25-17-20-42(21-18-25)47(44,45)30-15-11-27(12-16-30)40-39-26-9-13-29(14-10-26)41(2)3;1-29-15-6-8-16(9-7-15)31(27,28)24-10-12-30-13-11-26-14-23-19-20(26)17-4-2-3-5-18(17)25-21(19)22;21-14-4-3-5-15(12-14)30(27,28)24-8-10-29-11-9-26-13-23-18-19(26)16-6-1-2-7-17(16)25-20(18)22;21-20-18-19(16-8-4-5-9-17(16)24-20)25(14-22-18)11-13-28-12-10-23-29(26,27)15-6-2-1-3-7-15;1-2-3-12-27(24,25)21-8-10-26-11-9-23-13-20-16-17(23)14-6-4-5-7-15(14)22-18(16)19;/h5-16,24-25,28H,4,17-23H2,1-3H3,(H2,36,38);2-9,14,24H,10-13H2,1H3,(H2,22,25);1-7,12-13,24H,8-11H2,(H2,22,25);1-9,14,23H,10-13H2,(H2,21,24);4-7,13,21H,2-3,8-12H2,1H3,(H2,19,22);1H4/b40-39+
• InChIKey: ZTZGPNPYPSZPDD-BYVPDBMWSA-N
• XLogP: 16.28
• TPSA: 589.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 47
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2344.86
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane?

The IUPAC name of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane (CID 162219951) is N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane.

What is the SMILES notation for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane?

The canonical SMILES for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane is C.CCC(COCCC1CCN(S(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)CC1)n1cnc2c(N)nc3ccccc3c21.CCCCS(=O)(=O)NCCOCCn1cnc2c(N)nc3ccccc3c21.COc1ccc(S(=O)(=O)NCCOCCn2cnc3c(N)nc4ccccc4c32)cc1.Nc1nc2ccccc2c2c1ncn2CCOCCNS(=O)(=O)c1cccc(F)c1.Nc1nc2ccccc2c2c1ncn2CCOCCNS(=O)(=O)c1ccccc1.

What is the InChIKey of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane?

The InChIKey is ZTZGPNPYPSZPDD-BYVPDBMWSA-N. The full InChI is InChI=1S/C35H42N8O3S.C21H23N5O4S.C20H20FN5O3S.C20H21N5O3S.C18H25N5O3S.CH4/c1-4-28(43-24-37-33-34(43)31-7-5-6-8-32(31)38-35(33)36)23-46-22-19-25-17-20-42(21-18-25)47(44,45)30-15-11-27(12-16-30)40-39-26-9-13-29(14-10-26)41(2)3;1-29-15-6-8-16(9-7-15)31(27,28)24-10-12-30-13-11-26-14-23-19-20(26)17-4-2-3-5-18(17)25-21(19)22;21-14-4-3-5-15(12-14)30(27,28)24-8-10-29-11-9-26-13-23-18-19(26)16-6-1-2-7-17(16)25-20(18)22;21-20-18-19(16-8-4-5-9-17(16)24-20)25(14-22-18)11-13-28-12-10-23-29(26,27)15-6-2-1-3-7-15;1-2-3-12-27(24,25)21-8-10-26-11-9-23-13-20-16-17(23)14-6-4-5-7-15(14)22-18(16)19;/h5-16,24-25,28H,4,17-23H2,1-3H3,(H2,36,38);2-9,14,24H,10-13H2,1H3,(H2,22,25);1-7,12-13,24H,8-11H2,(H2,22,25);1-9,14,23H,10-13H2,(H2,21,24);4-7,13,21H,2-3,8-12H2,1H3,(H2,19,22);1H4/b40-39+;;;;;.

What are the key properties of N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane?

N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane has a molecular weight of 2344.86 g/mol, XLogP of 16.28, 47 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]butane-1-sulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-3-fluorobenzenesulfonamide;N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methoxybenzenesulfonamide;1-[1-[2-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylpiperidin-4-yl]ethoxy]butan-2-yl]imidazo[4,5-c]quinolin-4-amine;methane is sourced from PubChem (CID 162219951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).