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

C34H41N6O11P — CID 159405184

About (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(5-hydroxy-2-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-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate (PubChem CID 159405184) has the molecular formula C34H41N6O11P and a molecular weight of 740.71 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(5-hydroxy-2-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-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate
• PubChem CID: 159405184
• Molecular Formula: C34H41N6O11P
• Molecular Weight: 740.71 g/mol
• Exact Mass: 740.26
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(5-hydroxy-2-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)cc3c2n1Cc1cc(O)ccc1OP(=O)(O)O
• InChI: InChI=1S/C34H41N6O11P/c1-2-3-5-27-38-32-33(39(27)20-22-19-23(41)9-11-26(22)51-52(46,47)48)24-18-21(8-10-25(24)37-34(32)35)14-16-49-17-15-36-28(42)6-4-7-31(45)50-40-29(43)12-13-30(40)44/h8-11,18-19,41H,2-7,12-17,20H2,1H3,(H2,35,37)(H,36,42)(H2,46,47,48)
• InChIKey: SOOHQIQMHIARCT-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 245.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.71
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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-[(5-hydroxy-2-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-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate (CID 159405184) is (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(5-hydroxy-2-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-[(5-hydroxy-2-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-[(5-hydroxy-2-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)cc3c2n1Cc1cc(O)ccc1OP(=O)(O)O.

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

The InChIKey is SOOHQIQMHIARCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N6O11P/c1-2-3-5-27-38-32-33(39(27)20-22-19-23(41)9-11-26(22)51-52(46,47)48)24-18-21(8-10-25(24)37-34(32)35)14-16-49-17-15-36-28(42)6-4-7-31(45)50-40-29(43)12-13-30(40)44/h8-11,18-19,41H,2-7,12-17,20H2,1H3,(H2,35,37)(H,36,42)(H2,46,47,48).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[4-amino-2-butyl-1-[(5-hydroxy-2-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-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate has a molecular weight of 740.71 g/mol, XLogP of 3.19, 18 rotatable bonds, 5 hydrogen bond donors, and 13 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-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethylamino]-5-oxopentanoate is sourced from PubChem (CID 159405184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).