3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide

C152H237N27O24 — CID 159898321

About 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide

3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide (PubChem CID 159898321) has the molecular formula C152H237N27O24 and a molecular weight of 2826.73 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide
• PubChem CID: 159898321
• Molecular Formula: C152H237N27O24
• Molecular Weight: 2826.73 g/mol
• Exact Mass: 2824.82
• IUPAC Name: 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCC(=O)NCC(=O)CCC(=O)NCC(=O)CCC(=O)NCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCOCCC(=O)CCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCOCCOCCC(=O)CCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCCC(NC)C(C)=O
• InChI: InChI=1S/C41H60N8O7.C40H65N7O8.C36H58N6O4.C35H54N6O5/c1-4-5-17-35-48-39-40(32-14-8-9-16-34(32)47-41(39)42)49(35)25-12-6-7-13-29(51)18-21-37(55)45-27-31(53)20-23-38(56)46-26-30(52)19-22-36(54)44-24-11-10-15-33(43-3)28(2)50;1-4-5-15-35-46-38-39(32-12-6-7-14-34(32)45-40(38)41)47(35)20-11-10-19-44-37(50)17-22-52-24-26-54-28-30-55-29-27-53-25-23-51-21-16-36(49)43-18-9-8-13-33(42-3)31(2)48;1-5-6-19-33-40-34-35(30-16-10-11-18-32(30)39-36(34)37)42(33)23-13-12-21-41(4)22-14-24-45-26-27-46-25-20-29(44)15-8-7-9-17-31(38-3)28(2)43;1-4-5-17-31-40-33-34(28-14-9-10-16-30(28)39-35(33)36)41(31)21-12-11-20-38-32(44)19-23-46-25-24-45-22-18-27(43)13-7-6-8-15-29(37-3)26(2)42/h8-9,14,16,33,43H,4-7,10-13,15,17-27H2,1-3H3,(H2,42,47)(H,44,54)(H,45,55)(H,46,56);6-7,12,14,33,42H,4-5,8-11,13,15-30H2,1-3H3,(H2,41,45)(H,43,49)(H,44,50);10-11,16,18,31,38H,5-9,12-15,17,19-27H2,1-4H3,(H2,37,39);9-10,14,16,29,37H,4-8,11-13,15,17-25H2,1-3H3,(H2,36,39)(H,38,44)
• InChIKey: NVQDPGHTLOMXOX-UHFFFAOYSA-N
• XLogP: 18.19
• TPSA: 689.58 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 45
• Rotatable Bonds: 113
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2826.73
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide?

The IUPAC name of 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide (CID 159898321) is 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide.

What is the SMILES notation for 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide?

The canonical SMILES for 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCC(=O)NCC(=O)CCC(=O)NCC(=O)CCC(=O)NCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN(C)CCCOCCOCCC(=O)CCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCOCCOCCC(=O)CCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCCC(NC)C(C)=O.

What is the InChIKey of 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide?

The InChIKey is NVQDPGHTLOMXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H60N8O7.C40H65N7O8.C36H58N6O4.C35H54N6O5/c1-4-5-17-35-48-39-40(32-14-8-9-16-34(32)47-41(39)42)49(35)25-12-6-7-13-29(51)18-21-37(55)45-27-31(53)20-23-38(56)46-26-30(52)19-22-36(54)44-24-11-10-15-33(43-3)28(2)50;1-4-5-15-35-46-38-39(32-12-6-7-14-34(32)45-40(38)41)47(35)20-11-10-19-44-37(50)17-22-52-24-26-54-28-30-55-29-27-53-25-23-51-21-16-36(49)43-18-9-8-13-33(42-3)31(2)48;1-5-6-19-33-40-34-35(30-16-10-11-18-32(30)39-36(34)37)42(33)23-13-12-21-41(4)22-14-24-45-26-27-46-25-20-29(44)15-8-7-9-17-31(38-3)28(2)43;1-4-5-17-31-40-33-34(28-14-9-10-16-30(28)39-35(33)36)41(31)21-12-11-20-38-32(44)19-23-46-25-24-45-22-18-27(43)13-7-6-8-15-29(37-3)26(2)42/h8-9,14,16,33,43H,4-7,10-13,15,17-27H2,1-3H3,(H2,42,47)(H,44,54)(H,45,55)(H,46,56);6-7,12,14,33,42H,4-5,8-11,13,15-30H2,1-3H3,(H2,41,45)(H,43,49)(H,44,50);10-11,16,18,31,38H,5-9,12-15,17,19-27H2,1-4H3,(H2,37,39);9-10,14,16,29,37H,4-8,11-13,15,17-25H2,1-3H3,(H2,36,39)(H,38,44).

What are the key properties of 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide?

3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide has a molecular weight of 2826.73 g/mol, XLogP of 18.19, 113 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-(methylamino)-6-oxoheptyl]propanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[9-(methylamino)-3,10-dioxoundecoxy]ethoxy]propanamide;11-[2-[3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-methylamino]propoxy]ethoxy]-3-(methylamino)undecane-2,9-dione;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]-4-oxononanamide is sourced from PubChem (CID 159898321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).