Basic information
- CAS
433306-31-1- Standard SMILES
Cc1ccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)cc1- InChIKey
VIYGZDDBHHYBES-UHFFFAOYSA-N- Molecular formula
- C21H17N3O
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.13716217
Names & identifiers
- Preferred name
- 4-{[2-(4-Methylphenyl)quinazolin-4-yl]amino}phenol
- IUPAC
- 4-[[2-(4-methylphenyl)quinazolin-4-yl]amino]phenol
Names & synonyms
4-{[2-(4-methylphenyl)quinazolin-4-yl]amino}phenol433306-31-14-[[2-(4-methylphenyl)quinazolin-4-yl]amino]phenolNeuro1_000558Oprea1_541263Oprea1_601318MLS001196558CHEMBL1413359DTXSID501333356HMS2886I07STK852862AKOS001664590
Show more names
AKOS005630042NCGC00316724-01SMR000556153EU-0045785ST501924404-((2-(p-tolyl)quinazolin-4-yl)amino)phenolAB00294839-08AB00294839-10
Database identifiers
- CAS
433306-31-1- PubChem CID
- 700720
- DTXSID
DTXSID501333356- ChEMBL
CHEMBL1413359
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
- 415
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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