Basic information
- CAS
361189-74-4- Standard SMILES
COc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1OC- InChIKey
YZFDEHSZNMNBJB-UHFFFAOYSA-N- Molecular formula
- C18H17N3O4
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.12190603
Names & identifiers
- Preferred name
- N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
- IUPAC
- N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
- English name
- N-(3,4-dimethoxyphenyl)-2-(4-oxo-3(4H)-quinazolinyl)acetamide
- Molecular formula
- C18H17N3O4
- Molecular weight
- 339.35
Names & synonyms
361189-74-4N-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamideN-(3,4-dimethoxyphenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamideN-(3,4-dimethoxyphenyl)-2-(4-oxo-3(4H)-quinazolinyl)acetamideCBKinase1_009017CBKinase1_021417Oprea1_102695MLS000764654CHEMBL1462000DTXSID801325948HMS2670E10STK136626
Show more names
3(4H)-Quinazolineacetamide, N-(3,4-dimethoxyphenyl)-4-oxo-
AKOS000471789SMR000290259ST50288308AP-853/42879199BRD-K64177434-001-01-8N-(3,4-dimethoxyphenyl)-2-(4-oxo(3-hydroquinazolin-3-yl))acetamide
Database identifiers
- CAS
361189-74-4- PubChem CID
- 712182
- DTXSID
DTXSID801325948- ChEMBL
CHEMBL1462000
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Experimental & physicochemical properties
Solubility12.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 12.53 · 12.53±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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