N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid

C67H112N12O5 — CID 157137488

About N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid (PubChem CID 157137488) has the molecular formula C67H112N12O5 and a molecular weight of 1165.71 g/mol. Its IUPAC name is N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid.

Molecular Properties

• Compound Name: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid
• PubChem CID: 157137488
• Molecular Formula: C67H112N12O5
• Molecular Weight: 1165.71 g/mol
• Exact Mass: 1164.89
• IUPAC Name: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid
• SMILES: CCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)N(CCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21)CCCN(C)C.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNCCCN(C)C
• InChI: InChI=1S/C41H70N6O2.C23H36N6O.C3H6O2/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-30-38(48)46(33-26-31-45(3)4)32-24-25-34-49-47-37(29-8-6-2)44-39-40(47)35-27-22-23-28-36(35)43-41(39)42;1-4-5-13-20-27-21-22(18-11-6-7-12-19(18)26-23(21)24)29(20)30-17-9-8-14-25-15-10-16-28(2)3;1-2-3(4)5/h22-23,27-28H,5-21,24-26,29-34H2,1-4H3,(H2,42,43);6-7,11-12,25H,4-5,8-10,13-17H2,1-3H3,(H2,24,26);2H2,1H3,(H,4,5)
• InChIKey: AJUGDNJZVGDVBD-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 208.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 43
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1165.71
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid?

The IUPAC name of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid (CID 157137488) is N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid.

What is the SMILES notation for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid?

The canonical SMILES for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid is CCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)N(CCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21)CCCN(C)C.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNCCCN(C)C.

What is the InChIKey of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid?

The InChIKey is AJUGDNJZVGDVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H70N6O2.C23H36N6O.C3H6O2/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-30-38(48)46(33-26-31-45(3)4)32-24-25-34-49-47-37(29-8-6-2)44-39-40(47)35-27-22-23-28-36(35)43-41(39)42;1-4-5-13-20-27-21-22(18-11-6-7-12-19(18)26-23(21)24)29(20)30-17-9-8-14-25-15-10-16-28(2)3;1-2-3(4)5/h22-23,27-28H,5-21,24-26,29-34H2,1-4H3,(H2,42,43);6-7,11-12,25H,4-5,8-10,13-17H2,1-3H3,(H2,24,26);2H2,1H3,(H,4,5).

What are the key properties of N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid?

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid has a molecular weight of 1165.71 g/mol, XLogP of 13.50, 43 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N-[3-(dimethylamino)propyl]octadecanamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-N',N'-dimethylpropane-1,3-diamine;propanoic acid is sourced from PubChem (CID 157137488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).