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

C107H131N18O25P — CID 159254041

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

(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate (PubChem CID 159254041) has the molecular formula C107H131N18O25P and a molecular weight of 2100.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate
• PubChem CID: 159254041
• Molecular Formula: C107H131N18O25P
• Molecular Weight: 2100.30 g/mol
• Exact Mass: 2098.93
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate
• SMILES: CCCCc1nc2c(N)nc3cc(CCCOCCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1ccc(O)c(C)c1.CCCCc1nc2c(N)nc3cc(CCCOCCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1ccc(OP(=O)(O)O)c(C)c1.CCCCc1nc2c(N)nc3cc(CCCOCCCNC(=O)CCC(=O)ON4C(=O)CCC4=O)ccc3c2n1Cc1cccc(O)c1O
• InChI: InChI=1S/C36H45N6O10P.C36H44N6O7.C35H42N6O8/c1-3-4-8-29-40-34-35(41(29)22-25-10-12-28(23(2)20-25)52-53(47,48)49)26-11-9-24(21-27(26)39-36(34)37)7-5-18-50-19-6-17-38-30(43)13-16-33(46)51-42-31(44)14-15-32(42)45;1-3-4-8-29-40-34-35(41(29)22-25-10-12-28(43)23(2)20-25)26-11-9-24(21-27(26)39-36(34)37)7-5-18-48-19-6-17-38-30(44)13-16-33(47)49-42-31(45)14-15-32(42)46;1-2-3-10-27-39-32-33(40(27)21-23-8-4-9-26(42)34(23)47)24-12-11-22(20-25(24)38-35(32)36)7-5-18-48-19-6-17-37-28(43)13-16-31(46)49-41-29(44)14-15-30(41)45/h9-12,20-21H,3-8,13-19,22H2,1-2H3,(H2,37,39)(H,38,43)(H2,47,48,49);9-12,20-21,43H,3-8,13-19,22H2,1-2H3,(H2,37,39)(H,38,44);4,8-9,11-12,20,42,47H,2-3,5-7,10,13-19,21H2,1H3,(H2,36,38)(H,37,43)
• InChIKey: KVQYCLSLMYXBNS-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 603.67 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 53
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2100.30
LogP ≤ 5	12.41
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-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate (CID 159254041) is (2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate.

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

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

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

The InChIKey is KVQYCLSLMYXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N6O10P.C36H44N6O7.C35H42N6O8/c1-3-4-8-29-40-34-35(41(29)22-25-10-12-28(23(2)20-25)52-53(47,48)49)26-11-9-24(21-27(26)39-36(34)37)7-5-18-50-19-6-17-38-30(43)13-16-33(46)51-42-31(44)14-15-32(42)45;1-3-4-8-29-40-34-35(41(29)22-25-10-12-28(43)23(2)20-25)26-11-9-24(21-27(26)39-36(34)37)7-5-18-48-19-6-17-38-30(44)13-16-33(47)49-42-31(45)14-15-32(42)46;1-2-3-10-27-39-32-33(40(27)21-23-8-4-9-26(42)34(23)47)24-12-11-22(20-25(24)38-35(32)36)7-5-18-48-19-6-17-37-28(43)13-16-31(46)49-41-29(44)14-15-30(41)45/h9-12,20-21H,3-8,13-19,22H2,1-2H3,(H2,37,39)(H,38,43)(H2,47,48,49);9-12,20-21,43H,3-8,13-19,22H2,1-2H3,(H2,37,39)(H,38,44);4,8-9,11-12,20,42,47H,2-3,5-7,10,13-19,21H2,1H3,(H2,36,38)(H,37,43).

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

(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate has a molecular weight of 2100.30 g/mol, XLogP of 12.41, 53 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-[3-[3-[4-amino-2-butyl-1-[(2,3-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-[3-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]propoxy]propylamino]-4-oxobutanoate is sourced from PubChem (CID 159254041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).