(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate

C101H119N18O25P — CID 158838481

About (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate

(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate (PubChem CID 158838481) has the molecular formula C101H119N18O25P and a molecular weight of 2016.14 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate
• PubChem CID: 158838481
• Molecular Formula: C101H119N18O25P
• Molecular Weight: 2016.14 g/mol
• Exact Mass: 2014.83
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate
• SMILES: CCCCc1nc2c(N)nc3cc(CCOCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1ccc(O)c(C)c1.CCCCc1nc2c(N)nc3cc(CCOCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1ccc(OP(=O)(O)O)c(C)c1.CCCCc1nc2c(N)nc3cc(CCOCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1cccc(O)c1O
• InChI: InChI=1S/C34H41N6O10P.C34H40N6O7.C33H38N6O8/c1-3-4-5-27-38-32-33(39(27)20-23-7-9-26(21(2)18-23)50-51(45,46)47)24-8-6-22(19-25(24)37-34(32)35)14-16-48-17-15-36-28(41)10-13-31(44)49-40-29(42)11-12-30(40)43;1-3-4-5-27-38-32-33(39(27)20-23-7-9-26(41)21(2)18-23)24-8-6-22(19-25(24)37-34(32)35)14-16-46-17-15-36-28(42)10-13-31(45)47-40-29(43)11-12-30(40)44;1-2-3-7-25-37-30-31(38(25)19-21-5-4-6-24(40)32(21)45)22-9-8-20(18-23(22)36-33(30)34)14-16-46-17-15-35-26(41)10-13-29(44)47-39-27(42)11-12-28(39)43/h6-9,18-19H,3-5,10-17,20H2,1-2H3,(H2,35,37)(H,36,41)(H2,45,46,47);6-9,18-19,41H,3-5,10-17,20H2,1-2H3,(H2,35,37)(H,36,42);4-6,8-9,18,40,45H,2-3,7,10-17,19H2,1H3,(H2,34,36)(H,35,41)
• InChIKey: IXXZEYVPTWDVCH-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 603.67 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 47
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2016.14
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate (CID 158838481) is (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate is CCCCc1nc2c(N)nc3cc(CCOCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1ccc(O)c(C)c1.CCCCc1nc2c(N)nc3cc(CCOCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1ccc(OP(=O)(O)O)c(C)c1.CCCCc1nc2c(N)nc3cc(CCOCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1cccc(O)c1O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate?

The InChIKey is IXXZEYVPTWDVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N6O10P.C34H40N6O7.C33H38N6O8/c1-3-4-5-27-38-32-33(39(27)20-23-7-9-26(21(2)18-23)50-51(45,46)47)24-8-6-22(19-25(24)37-34(32)35)14-16-48-17-15-36-28(41)10-13-31(44)49-40-29(42)11-12-30(40)43;1-3-4-5-27-38-32-33(39(27)20-23-7-9-26(41)21(2)18-23)24-8-6-22(19-25(24)37-34(32)35)14-16-46-17-15-36-28(42)10-13-31(45)47-40-29(43)11-12-30(40)44;1-2-3-7-25-37-30-31(38(25)19-21-5-4-6-24(40)32(21)45)22-9-8-20(18-23(22)36-33(30)34)14-16-46-17-15-35-26(41)10-13-29(44)47-39-27(42)11-12-28(39)43/h6-9,18-19H,3-5,10-17,20H2,1-2H3,(H2,35,37)(H,36,41)(H2,45,46,47);6-9,18-19,41H,3-5,10-17,20H2,1-2H3,(H2,35,37)(H,36,42);4-6,8-9,18,40,45H,2-3,7,10-17,19H2,1H3,(H2,34,36)(H,35,41).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate?

(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate has a molecular weight of 2016.14 g/mol, XLogP of 10.07, 47 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]ethoxy]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 158838481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).