3(4H)-Quinazolineacetamide, N-(4-methoxyphenyl)-4-oxo-
Basic information
- CAS
108086-40-4- Standard SMILES
COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1- InChIKey
SMRMBQLYQMAXFZ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- 3(4H)-Quinazolineacetamide, N-(4-methoxyphenyl)-4-oxo-
- IUPAC
- N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
- English name
- N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
- Molecular formula
- C17H15N3O3
- Molecular weight
- 309.32
Names & synonyms
108086-40-4BRN 56029743(4H)-Quinazolineacetamide, N-(4-methoxyphenyl)-4-oxo-N-(4-Methoxyphenyl)-4-oxo-3(4H)-quinazolineacetamideDTXSID40148374RefChem:269716DTXCID0070865N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamideN-(4-methoxyphenyl)-2-(4-oxo-3(4H)-quinazolinyl)acetamideN-(4-methoxyphenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamideTimTec1_003279CHEMBL5417653
Show more names
HMS1543F01STK135984AKOS003256004ST044420BRD-K61189276-001-01-7N-(4-methoxyphenyl)-2-(4-oxo(3-hydroquinazolin-3-yl))acetamide
Database identifiers
- CAS
108086-40-4- PubChem CID
- 670909
- DTXSID
DTXSID40148374- ChEMBL
CHEMBL5417653
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 102 °C · 102 °C(Solv: acetone (67-64-1))
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 12.99 · 12.99±0.70(Predicted)
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Compound notes
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