3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium

C34H59N11O5P+ — CID 172732480

About 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium

3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium (PubChem CID 172732480) has the molecular formula C34H59N11O5P+ and a molecular weight of 732.89 g/mol. Its IUPAC name is 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium
• PubChem CID: 172732480
• Molecular Formula: C34H59N11O5P+
• Molecular Weight: 732.89 g/mol
• Exact Mass: 732.44
• IUPAC Name: 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium
• SMILES: CCNCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)[C@H](CCC(=O)NCCCNCCCCNCCCN)NCCCO[P+](=O)O
• InChI: InChI=1S/C34H58N11O5P/c1-2-37-25-29-44-31-32(26-11-3-4-12-27(26)43-33(31)36)45(29)23-9-21-42-34(47)28(40-22-10-24-50-51(48)49)13-14-30(46)41-20-8-19-39-17-6-5-16-38-18-7-15-35/h3-4,11-12,28,37-40H,2,5-10,13-25,35H2,1H3,(H4-,36,41,42,43,46,47,48,49)/p+1/t28-/m0/s1
• InChIKey: WPMVKHJDXHOVPZ-NDEPHWFRSA-O
• XLogP: 1.39
• TPSA: 235.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 29
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.89
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium?

The IUPAC name of 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium (CID 172732480) is 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium.

What is the SMILES notation for 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium?

The canonical SMILES for 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium is CCNCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)[C@H](CCC(=O)NCCCNCCCCNCCCN)NCCCO[P+](=O)O.

What is the InChIKey of 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium?

The InChIKey is WPMVKHJDXHOVPZ-NDEPHWFRSA-O. The full InChI is InChI=1S/C34H58N11O5P/c1-2-37-25-29-44-31-32(26-11-3-4-12-27(26)43-33(31)36)45(29)23-9-21-42-34(47)28(40-22-10-24-50-51(48)49)13-14-30(46)41-20-8-19-39-17-6-5-16-38-18-7-15-35/h3-4,11-12,28,37-40H,2,5-10,13-25,35H2,1H3,(H4-,36,41,42,43,46,47,48,49)/p+1/t28-/m0/s1.

What are the key properties of 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium?

3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium has a molecular weight of 732.89 g/mol, XLogP of 1.39, 29 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2S)-1-[3-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentan-2-yl]amino]propoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 172732480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).