Methyl 2,4-dioxo-1H-quinazoline-8-carboxylate
CAS No.：
Cat. No.: SC251627
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Product Name :Methyl 2,4-dioxo-1H-quinazoline-8-carboxylate
Cat. No.: :SC251627
Purity / Specification :—
CAS No. :331647-38-2
MDL No. :—
Molecular Formula :C10H8N2O4
LogP :0.30
Molecular Weight :220.18
TPSA :84.5
Category :Drug Discovery
HSN Code :—
SMILES Code :COC(=O)c1cccc2c(O)nc(O)nc12
Melting Point :—
InChI Key : :ANXZLFHEAKRPNL-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 220.2 Da
LogP ≤ 5✓ 0.30
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i0.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 84.5Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.