DONHJPUVQGGRIN-UHFFFAOYSA-N

C₂₂H₃₃N₅O₃ — CID 118451567

About DONHJPUVQGGRIN-UHFFFAOYSA-N

DONHJPUVQGGRIN-UHFFFAOYSA-N (PubChem CID 118451567) has the molecular formula C₂₂H₃₃N₅O₃ and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol.

Molecular Properties

• Compound Name: DONHJPUVQGGRIN-UHFFFAOYSA-N
• PubChem CID: 118451567
• Molecular Formula: C₂₂H₃₃N₅O₃
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.26
• IUPAC Name: 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol
• SMILES: CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNCCCO
• InChI: InChI=1S/C22H33N5O3/c1-4-29-14-18-26-19-20(16-8-5-6-9-17(16)25-21(19)23)27(18)15-22(2,3)30-13-11-24-10-7-12-28/h5-6,8-9,24,28H,4,7,10-15H2,1-3H3,(H2,23,25)
• InChIKey: DONHJPUVQGGRIN-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 107.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of DONHJPUVQGGRIN-UHFFFAOYSA-N?

The IUPAC name of DONHJPUVQGGRIN-UHFFFAOYSA-N (CID 118451567) is 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol.

What is the SMILES notation for DONHJPUVQGGRIN-UHFFFAOYSA-N?

The canonical SMILES for DONHJPUVQGGRIN-UHFFFAOYSA-N is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNCCCO.

What is the InChIKey of DONHJPUVQGGRIN-UHFFFAOYSA-N?

The InChIKey is DONHJPUVQGGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-4-29-14-18-26-19-20(16-8-5-6-9-17(16)25-21(19)23)27(18)15-22(2,3)30-13-11-24-10-7-12-28/h5-6,8-9,24,28H,4,7,10-15H2,1-3H3,(H2,23,25).

What are the key properties of DONHJPUVQGGRIN-UHFFFAOYSA-N?

DONHJPUVQGGRIN-UHFFFAOYSA-N has a molecular weight of 415.54 g/mol, XLogP of 2.47, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for DONHJPUVQGGRIN-UHFFFAOYSA-N is sourced from PubChem (CID 118451567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118451567 — identifiers, structure, computed properties (public domain)

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