4-methyl-6-nitro-1H-quinolin-2-one
CAS No.：
Cat. No.: SC251071
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Product Name :4-methyl-6-nitro-1H-quinolin-2-one
Cat. No.: :SC251071
Purity / Specification :—
CAS No. :90771-17-8
MDL No. :MFCD01014320
Molecular Formula :C10H8N2O3
LogP :1.10
Molecular Weight :204.19
TPSA :74.9
Category :CRO / Contract Research
HSN Code :—
SMILES Code :CC1=CC(=O)NC2=C1C=C(C=C2)[N+](=O)[O-]
Melting Point :—
InChI Key : :QBBNQTCDZWMPAH-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✓ 204.2 Da
LogP ≤ 5✓ 1.10
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i76/100
Good drug-like profile
Predicted LogP
i1.10log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 74.9Ų · 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.