6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione

C₂₆H₃₁N₅O₄ — CID 122429400

About 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione

6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione (PubChem CID 122429400) has the molecular formula C₂₆H₃₁N₅O₄ and a molecular weight of 477.57 g/mol. Its IUPAC name is 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione.

Molecular Properties

• Compound Name: 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione
• PubChem CID: 122429400
• Molecular Formula: C₂₆H₃₁N₅O₄
• Molecular Weight: 477.57 g/mol
• Exact Mass: 477.24
• IUPAC Name: 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ncccc34)nc21
• InChI: InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(10-5-4-6-14-32)21(29-24)16-35-22-12-7-11-19-18(22)9-8-13-27-19/h7-9,11-13,17,32H,4-6,10,14-16H2,1-3H3
• InChIKey: ANJPRASHQRBVNB-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 112.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.57
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

The IUPAC name of 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione (CID 122429400) is 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione.

What is the SMILES notation for 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

The canonical SMILES for 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ncccc34)nc21.

What is the InChIKey of 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

The InChIKey is ANJPRASHQRBVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(10-5-4-6-14-32)21(29-24)16-35-22-12-7-11-19-18(22)9-8-13-27-19/h7-9,11-13,17,32H,4-6,10,14-16H2,1-3H3.

What are the key properties of 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione has a molecular weight of 477.57 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione is sourced from PubChem (CID 122429400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122429400 — identifiers, structure, computed properties (public domain)

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