N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]methanesulfonamide
Basic information
- CAS
878977-86-7- Standard SMILES
COc1cc(C2Nc3ccccc3C(=O)N2NS(C)(=O)=O)ccc1O- InChIKey
FNWGZLSTQXDWAB-UHFFFAOYSA-N- Molecular formula
- C16H17N3O5S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.08889182
Names & identifiers
- Preferred name
- N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]methanesulfonamide
- IUPAC
- N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]methanesulfonamide
Names & synonyms
N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamideN-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]methanesulfonamide878977-86-7MLS000779205CHEMBL1547876DTXSID801333381HMS2748L05STK213292AKOS005417630SMR000415898N-(2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3(4H)-yl)methanesulfonamideN-[2-(4-Hydroxy-3-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl]-methanesulfonamide
Database identifiers
- CAS
878977-86-7- PubChem CID
- 4889984
- DTXSID
DTXSID801333381- ChEMBL
CHEMBL1547876
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 593
Experimental & physicochemical properties
Solubility35.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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