Basic information
- CAS
276687-52-6- Standard SMILES
Cc1ccccc1OCc1nc2ccccc2c(=O)n1N- InChIKey
MNGVORPYHMNFDM-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2
- Average molar mass
- 281.31 g/mol
Names & identifiers
- Preferred name
- 3-Amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one
- IUPAC
- 3-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one
- English name
- 3-amino-2-[(2-methylphenoxy)methyl]-4(3H)-quinazolinone
- Molecular formula
- C16H15N3O2
- Molecular weight
- 281.31
Names & synonyms
276687-52-63-amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one3-amino-2-[(2-methylphenoxy)methyl]-4(3H)-quinazolinone3-Amino-2-((o-tolyloxy)methyl)quinazolin-4(3H)-oneMLS000534376Oprea1_701017CHEMBL1331087HMS1586H08HMS2300L24STK832443AKOS001014570SMR000141808
Show more names
4(3H)-Quinazolinone, 3-amino-2-[(2-methylphenoxy)methyl]-
AE-848/15341128Z568081343-amino-2-[(2-methylphenoxy)methyl]quinazolin-4(3H)-one
Database identifiers
- CAS
276687-52-6- ChEMBL
CHEMBL1331087- Nikkaji
- J1.290.722B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 485.3 · 485.3±47.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -1.63 · -1.63±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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