(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C37H56N4O10 — CID 129226246

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCCCc1cc2c(CCCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cccc2nc1N
InChIInChI=1S/C37H56N4O10/c1-2-3-5-10-30-28-31-29(11-8-12-32(31)40-37(30)38)9-6-4-7-17-39-33(42)15-18-46-20-22-48-24-26-50-27-25-49-23-21-47-19-16-36(45)51-41-34(43)13-14-35(41)44/h8,11-12,28H,2-7,9-10,13-27H2,1H3,(H2,38,40)(H,39,42)
InChIKeySCJJYSKOFURNFL-UHFFFAOYSA-N
MW716.87 g/mol
LogP3.85
Rot. Bonds29

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 129226246) has the molecular formula C37H56N4O10 and a molecular weight of 716.87 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID129226246
Molecular FormulaC37H56N4O10
Molecular Weight716.87 g/mol
Exact Mass716.40
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCCCCCc1cc2c(CCCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cccc2nc1N
InChIInChI=1S/C37H56N4O10/c1-2-3-5-10-30-28-31-29(11-8-12-32(31)40-37(30)38)9-6-4-7-17-39-33(42)15-18-46-20-22-48-24-26-50-27-25-49-23-21-47-19-16-36(45)51-41-34(43)13-14-35(41)44/h8,11-12,28H,2-7,9-10,13-27H2,1H3,(H2,38,40)(H,39,42)
InChIKeySCJJYSKOFURNFL-UHFFFAOYSA-N
XLogP3.85
TPSA177.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.87
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 129226246) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is CCCCCc1cc2c(CCCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cccc2nc1N.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is SCJJYSKOFURNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N4O10/c1-2-3-5-10-30-28-31-29(11-8-12-32(31)40-37(30)38)9-6-4-7-17-39-33(42)15-18-46-20-22-48-24-26-50-27-25-49-23-21-47-19-16-36(45)51-41-34(43)13-14-35(41)44/h8,11-12,28H,2-7,9-10,13-27H2,1H3,(H2,38,40)(H,39,42).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 716.87 g/mol, XLogP of 3.85, 29 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[5-(2-amino-3-pentylquinolin-5-yl)pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 129226246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).