7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)

C105H135N25O10 — CID 160749756

About 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)

7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine) (PubChem CID 160749756) has the molecular formula C105H135N25O10 and a molecular weight of 1907.40 g/mol. Its IUPAC name is 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine).

Molecular Properties

• Compound Name: 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)
• PubChem CID: 160749756
• Molecular Formula: C105H135N25O10
• Molecular Weight: 1907.40 g/mol
• Exact Mass: 1906.08
• IUPAC Name: 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)
• SMILES: CC(C)CCOc1cccc2nc(N)c3nn(CCC(C)C)cc3c12.CC(C)CCOc1cccc2nc(N)c3nn(CCC(C)C)cc3c12.CC(C)CCn1cc2c(n1)c(N)nc1cccc(O)c12.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCN=2
• InChI: InChI=1S/C21H28N4O3.2C20H28N4O.C19H25N5O3.C15H18N4O.C10H8N4O/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;2*1-13(2)8-10-24-12-15-18-16(22-20(21)19(15)23-24)6-5-7-17(18)25-11-9-14(3)4;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;1-9(2)6-7-19-8-10-13-11(4-3-5-12(13)20)17-15(16)14(10)18-19;11-10-9-8(12-4-13-9)7-5(14-10)2-1-3-6(7)15/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);2*5-7,12-14H,8-11H2,1-4H3,(H2,21,22);5,7-8H,4,6,9-11H2,1-3H3,(H2,20,22)(H,21,25);3-5,8-9,20H,6-7H2,1-2H3,(H2,16,17);1-3,15H,4H2,(H2,11,14)
• InChIKey: RWQUKPFIXAVKIR-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 489.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 35
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.40
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)?

The IUPAC name of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine) (CID 160749756) is 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine).

What is the SMILES notation for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)?

The canonical SMILES for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine) is CC(C)CCOc1cccc2nc(N)c3nn(CCC(C)C)cc3c12.CC(C)CCOc1cccc2nc(N)c3nn(CCC(C)C)cc3c12.CC(C)CCn1cc2c(n1)c(N)nc1cccc(O)c12.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCN=2.

What is the InChIKey of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)?

The InChIKey is RWQUKPFIXAVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.2C20H28N4O.C19H25N5O3.C15H18N4O.C10H8N4O/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;2*1-13(2)8-10-24-12-15-18-16(22-20(21)19(15)23-24)6-5-7-17(18)25-11-9-14(3)4;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;1-9(2)6-7-19-8-10-13-11(4-3-5-12(13)20)17-15(16)14(10)18-19;11-10-9-8(12-4-13-9)7-5(14-10)2-1-3-6(7)15/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);2*5-7,12-14H,8-11H2,1-4H3,(H2,21,22);5,7-8H,4,6,9-11H2,1-3H3,(H2,20,22)(H,21,25);3-5,8-9,20H,6-7H2,1-2H3,(H2,16,17);1-3,15H,4H2,(H2,11,14).

What are the key properties of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine)?

7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine) has a molecular weight of 1907.40 g/mol, XLogP of 17.84, 35 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;bis(9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine) is sourced from PubChem (CID 160749756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).