(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate

C70H85N12O17P — CID 159315018

About (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate (PubChem CID 159315018) has the molecular formula C70H85N12O17P and a molecular weight of 1397.49 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate
• PubChem CID: 159315018
• Molecular Formula: C70H85N12O17P
• Molecular Weight: 1397.49 g/mol
• Exact Mass: 1396.59
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate
• SMILES: CCCCc1nc2c(N)nc3ccc(CCOCCNC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(O)c(C)c1.CCCCc1nc2c(N)nc3ccc(CCOCCNC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(OP(=O)(O)O)c(C)c1
• InChI: InChI=1S/C35H43N6O10P.C35H42N6O7/c1-3-4-6-28-39-33-34(40(28)21-24-10-12-27(22(2)19-24)51-52(46,47)48)25-20-23(9-11-26(25)38-35(33)36)15-17-49-18-16-37-29(42)7-5-8-32(45)50-41-30(43)13-14-31(41)44;1-3-4-6-28-39-33-34(40(28)21-24-10-12-27(42)22(2)19-24)25-20-23(9-11-26(25)38-35(33)36)15-17-47-18-16-37-29(43)7-5-8-32(46)48-41-30(44)13-14-31(41)45/h9-12,19-20H,3-8,13-18,21H2,1-2H3,(H2,36,38)(H,37,42)(H2,46,47,48);9-12,19-20,42H,3-8,13-18,21H2,1-2H3,(H2,36,38)(H,37,43)
• InChIKey: LDAJBLYEYACSPY-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 404.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 34
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1397.49
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate (CID 159315018) is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate is CCCCc1nc2c(N)nc3ccc(CCOCCNC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(O)c(C)c1.CCCCc1nc2c(N)nc3ccc(CCOCCNC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(OP(=O)(O)O)c(C)c1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate?

The InChIKey is LDAJBLYEYACSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N6O10P.C35H42N6O7/c1-3-4-6-28-39-33-34(40(28)21-24-10-12-27(22(2)19-24)51-52(46,47)48)25-20-23(9-11-26(25)38-35(33)36)15-17-49-18-16-37-29(42)7-5-8-32(45)50-41-30(43)13-14-31(41)44;1-3-4-6-28-39-33-34(40(28)21-24-10-12-27(42)22(2)19-24)25-20-23(9-11-26(25)38-35(33)36)15-17-47-18-16-37-29(43)7-5-8-32(46)48-41-30(44)13-14-31(41)45/h9-12,19-20H,3-8,13-18,21H2,1-2H3,(H2,36,38)(H,37,42)(H2,46,47,48);9-12,19-20,42H,3-8,13-18,21H2,1-2H3,(H2,36,38)(H,37,43).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate?

(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate has a molecular weight of 1397.49 g/mol, XLogP of 7.81, 34 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate;(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate is sourced from PubChem (CID 159315018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).