Basic information
- CAS
374640-69-4- Standard SMILES
Cc1cccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1- InChIKey
DOTGVMLRGVTVPN-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3O2
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.0774544
Names & identifiers
- Preferred name
- 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
- IUPAC
- 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide
- English name
- 2-(6-Chloro-4-oxo-3(4H)-quinazolinyl)-N-(3-methylphenyl)acetamide
- Molecular formula
- C17H14ClN3O2
- Molecular weight
- 327.77
Names & synonyms
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)acetamide2-(6-CHLORO-4-OXO-3(4H)-QUINAZOLINYL)-N-(3-METHYLPHENYL)ACETAMIDEZINC00389218AKOS001281894ST50451728AB00750637-01AQ-407/41702102Z514382653(4H)-Quinazolineacetamide, 6-chloro-N-(3-methylphenyl)-4-oxo-
Database identifiers
- CAS
374640-69-4- PubChem CID
- 853097
- EC Number
- 138-376-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Density
- 1.344 · 1.344±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.487 · 13.487±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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