3-Amino-2-(m-tolyl)quinazolin-4(3H)-one
Basic information
- CAS
174680-31-0- Standard SMILES
Cc1cccc(-c2nc3ccccc3c(=O)n2N)c1- InChIKey
AKZDOSGIGQBKQF-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 3-Amino-2-(m-tolyl)quinazolin-4(3H)-one
- IUPAC
- 3-amino-2-(3-methylphenyl)quinazolin-4-one
Names & synonyms
174680-31-03-Amino-2-(m-tolyl)quinazolin-4(3H)-one3-AMINO-2-M-TOLYLQUINAZOLIN-4(3H)-ONE3-amino-2-(3-methylphenyl)quinazolin-4-one3-amino-2-(3-methylphenyl)quinazolin-4(3H)-one3-amino-2-(3-methylphenyl)-4(3H)-quinazolinone3-amino-2-(3-methylphenyl)-3,4-dihydroquinazolin-4-oneOprea1_397848Oprea1_704050MLS001194358CHEMBL1337633DTXSID301322618
Show more names
HMS2877A14ZGA68031STK508360AKOS001633544SMR000555190CS-0333863AP-970/40920205SR-01000433672
Database identifiers
- CAS
174680-31-0- PubChem CID
- 777429
- DTXSID
DTXSID301322618- ChEMBL
CHEMBL1337633
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
Solubility32.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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