bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine

C121H165N27O19S2 — CID 157079177

About bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine

bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine (PubChem CID 157079177) has the molecular formula C121H165N27O19S2 and a molecular weight of 2365.95 g/mol. Its IUPAC name is bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

• Compound Name: bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine
• PubChem CID: 157079177
• Molecular Formula: C121H165N27O19S2
• Molecular Weight: 2365.95 g/mol
• Exact Mass: 2364.22
• IUPAC Name: bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine
• SMILES: C=S(C)(=O)CCCCCOc1cccc2nc(N)c3nc(COCC)n(C)c3c12.C=S(C)(=O)NCCOCCOc1cccc2nc(N)c3nc(COCC)n(C)c3c12.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C
• InChI: InChI=1S/C21H30N4O3S.2C21H28N4O3.C20H29N5O4S.2C19H25N5O3/c1-5-27-14-17-24-19-20(25(17)2)18-15(23-21(19)22)10-9-11-16(18)28-12-7-6-8-13-29(3,4)26;2*1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-5-27-13-16-24-18-19(25(16)2)17-14(23-20(18)21)7-6-8-15(17)29-12-11-28-10-9-22-30(3,4)26;2*1-4-26-11-15-23-17-18(24(15)3)16-13(22-19(17)20)7-5-8-14(16)27-10-6-9-21-12(2)25/h9-11H,3,5-8,12-14H2,1-2,4H3,(H2,22,23);2*8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);6-8H,3,5,9-13H2,1-2,4H3,(H2,21,23)(H,22,26);2*5,7-8H,4,6,9-11H2,1-3H3,(H2,20,22)(H,21,25)
• InChIKey: ADIDQLFZTRLUPC-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 598.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 57
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.95
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine?

The IUPAC name of bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine (CID 157079177) is bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine.

What is the SMILES notation for bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine?

The canonical SMILES for bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine is C=S(C)(=O)CCCCCOc1cccc2nc(N)c3nc(COCC)n(C)c3c12.C=S(C)(=O)NCCOCCOc1cccc2nc(N)c3nc(COCC)n(C)c3c12.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.

What is the InChIKey of bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine?

The InChIKey is ADIDQLFZTRLUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S.2C21H28N4O3.C20H29N5O4S.2C19H25N5O3/c1-5-27-14-17-24-19-20(25(17)2)18-15(23-21(19)22)10-9-11-16(18)28-12-7-6-8-13-29(3,4)26;2*1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-5-27-13-16-24-18-19(25(16)2)17-14(23-20(18)21)7-6-8-15(17)29-12-11-28-10-9-22-30(3,4)26;2*1-4-26-11-15-23-17-18(24(15)3)16-13(22-19(17)20)7-5-8-14(16)27-10-6-9-21-12(2)25/h9-11H,3,5-8,12-14H2,1-2,4H3,(H2,22,23);2*8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);6-8H,3,5,9-13H2,1-2,4H3,(H2,21,23)(H,22,26);2*5,7-8H,4,6,9-11H2,1-3H3,(H2,20,22)(H,21,25).

What are the key properties of bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine?

bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 2365.95 g/mol, XLogP of 16.45, 57 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-λ6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 157079177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).