3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione

C₁₅H₁₆N₄O₃ — CID 156677524

About 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione

3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione (PubChem CID 156677524) has the molecular formula C₁₅H₁₆N₄O₃ and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
• PubChem CID: 156677524
• Molecular Formula: C₁₅H₁₆N₄O₃
• Molecular Weight: 303.34 g/mol
• Exact Mass: 303.14
• IUPAC Name: 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
• SMILES: [2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C)CCC(=O)NC1=O
• InChI: InChI=1S/C15H16N4O3/c1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h3-5H,6-7,16H2,1-2H3,(H,18,20,22)/i1D3
• InChIKey: YBEDEOMQBHQZHU-FIBGUPNXSA-N
• XLogP: 0.44
• TPSA: 107.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.34
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione?

The IUPAC name of 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione (CID 156677524) is 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione.

What is the SMILES notation for 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione?

The canonical SMILES for 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione is [2H]C([2H])([2H])c1nc2cccc(N)c2c(=O)n1C1(C)CCC(=O)NC1=O.

What is the InChIKey of 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione?

The InChIKey is YBEDEOMQBHQZHU-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-17-10-5-3-4-9(16)12(10)13(21)19(8)15(2)7-6-11(20)18-14(15)22/h3-5H,6-7,16H2,1-2H3,(H,18,20,22)/i1D3.

What are the key properties of 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione?

3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione has a molecular weight of 303.34 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 156677524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156677524 — identifiers, structure, computed properties (public domain)

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