3-{[2-(3-Methylphenyl)quinazolin-4-yl]amino}phenol
Basic information
- CAS
385386-62-9- Standard SMILES
Cc1cccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)c1- InChIKey
PFVSCOOEHXKMTE-UHFFFAOYSA-N- Molecular formula
- C21H17N3O
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.13716217
Names & identifiers
- Preferred name
- 3-{[2-(3-Methylphenyl)quinazolin-4-yl]amino}phenol
- IUPAC
- 3-[[2-(3-methylphenyl)quinazolin-4-yl]amino]phenol
Names & synonyms
3-{[2-(3-methylphenyl)quinazolin-4-yl]amino}phenol385386-62-93-[[2-(3-methylphenyl)quinazolin-4-yl]amino]phenolOprea1_085948Oprea1_331511MLS001196570CHEMBL1441535DTXSID501333413HMS2868E24STK969531AKOS001666760SMR000556154
Show more names
ST501931593-((2-(m-tolyl)quinazolin-4-yl)amino)phenolSR-01000499208SR-01000499208-1
Database identifiers
- CAS
385386-62-9- PubChem CID
- 700756
- DTXSID
DTXSID501333413- ChEMBL
CHEMBL1441535
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
Solubility1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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