6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
CAS No.：
Cat. No.: SC23211
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :6-chloro-4-oxo-1H-quinoline-2-carboxylic acid
Cat. No.: :SC23211
Purity / Specification :—
CAS No. :10174-72-8
MDL No. :MFCD00673835
Molecular Formula :C10H6ClNO3
LogP :1.90
Molecular Weight :223.61
TPSA :66.4
Category :Building Blocks
HSN Code :—
SMILES Code :O=C(O)c1cc(O)c2cc(Cl)ccc2n1
Melting Point :—
InChI Key : :FBHYBXRWVNVMRY-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✓ 223.6 Da
LogP ≤ 5✓ 1.90
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i82/100
Good drug-like profile
Predicted LogP
i1.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 66.4Ų · 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.