1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate

C110H150F4N18O14 — CID 157286288

About 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate

1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate (PubChem CID 157286288) has the molecular formula C110H150F4N18O14 and a molecular weight of 2024.51 g/mol. Its IUPAC name is 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate
• PubChem CID: 157286288
• Molecular Formula: C110H150F4N18O14
• Molecular Weight: 2024.51 g/mol
• Exact Mass: 2023.15
• IUPAC Name: 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate
• SMILES: CCCCCNC(=O)CCOCCOCCC(=O)CCCCCn1c(CCCC)nc2c(N)nc3ccccc3c21.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCOCCOCCC(=O)O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN
• InChI: InChI=1S/C33H38F4N4O5.C32H49N5O4.C27H38N4O5.C18H25N5/c1-2-3-12-26-40-30-31(22-10-6-7-11-25(22)39-33(30)38)41(26)15-8-4-5-9-21(42)13-16-44-18-19-45-17-14-27(43)46-32-28(36)23(34)20-24(35)29(32)37;1-3-5-11-19-34-29(39)18-22-41-24-23-40-21-17-25(38)13-8-7-12-20-37-28(16-6-4-2)36-30-31(37)26-14-9-10-15-27(26)35-32(30)33;1-2-3-12-23-30-25-26(21-10-6-7-11-22(21)29-27(25)28)31(23)15-8-4-5-9-20(32)13-16-35-18-19-36-17-14-24(33)34;1-2-3-10-15-22-16-17(23(15)12-7-6-11-19)13-8-4-5-9-14(13)21-18(16)20/h6-7,10-11,20H,2-5,8-9,12-19H2,1H3,(H2,38,39);9-10,14-15H,3-8,11-13,16-24H2,1-2H3,(H2,33,35)(H,34,39);6-7,10-11H,2-5,8-9,12-19H2,1H3,(H2,28,29)(H,33,34);4-5,8-9H,2-3,6-7,10-12,19H2,1H3,(H2,20,21)
• InChIKey: BAGRLALVIWWRHO-UHFFFAOYSA-N
• XLogP: 20.16
• TPSA: 452.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 66
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2024.51
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate?

The IUPAC name of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate (CID 157286288) is 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate.

What is the SMILES notation for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate?

The canonical SMILES for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate is CCCCCNC(=O)CCOCCOCCC(=O)CCCCCn1c(CCCC)nc2c(N)nc3ccccc3c21.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCOCCOCCC(=O)O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN.

What is the InChIKey of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate?

The InChIKey is BAGRLALVIWWRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F4N4O5.C32H49N5O4.C27H38N4O5.C18H25N5/c1-2-3-12-26-40-30-31(22-10-6-7-11-25(22)39-33(30)38)41(26)15-8-4-5-9-21(42)13-16-44-18-19-45-17-14-27(43)46-32-28(36)23(34)20-24(35)29(32)37;1-3-5-11-19-34-29(39)18-22-41-24-23-40-21-17-25(38)13-8-7-12-20-37-28(16-6-4-2)36-30-31(37)26-14-9-10-15-27(26)35-32(30)33;1-2-3-12-23-30-25-26(21-10-6-7-11-22(21)29-27(25)28)31(23)15-8-4-5-9-20(32)13-16-35-18-19-36-17-14-24(33)34;1-2-3-10-15-22-16-17(23(15)12-7-6-11-19)13-8-4-5-9-14(13)21-18(16)20/h6-7,10-11,20H,2-5,8-9,12-19H2,1H3,(H2,38,39);9-10,14-15H,3-8,11-13,16-24H2,1-2H3,(H2,33,35)(H,34,39);6-7,10-11H,2-5,8-9,12-19H2,1H3,(H2,28,29)(H,33,34);4-5,8-9H,2-3,6-7,10-12,19H2,1H3,(H2,20,21).

What are the key properties of 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate?

1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate has a molecular weight of 2024.51 g/mol, XLogP of 20.16, 66 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinolin-4-amine;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]-N-pentylpropanamide;3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]propanoate is sourced from PubChem (CID 157286288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).