Basic information
- CAS
76979-56-1- Standard SMILES
O=C(CNCn1cnc2ccccc2c1=O)NC(=O)Nc1ccc(Cl)cc1- InChIKey
HNLHDIPLJULBNU-UHFFFAOYSA-N- Molecular formula
- C18H16ClN5O3
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.0941671
Names & identifiers
- Preferred name
- Acetamide, N-(((4-chlorophenyl)amino)carbonyl)-2-(((4-oxo-3(4H)-quinazolinyl)methyl)amino)-
- IUPAC
- N-[(4-chlorophenyl)carbamoyl]-2-[(4-oxoquinazolin-3-yl)methylamino]acetamide
Names & synonyms
BRN 600687976979-56-1Acetamide, N-(((4-chlorophenyl)amino)carbonyl)-2-(((4-oxo-3(4H)-quinazolinyl)methyl)amino)-DTXSID10227761N-(((4-Chlorophenyl)amino)carbonyl)-2-(((4-oxo-3(4H)-quinazolinyl)methyl)amino)acetamideRefChem:314836DTXCID60150252N-[(4-Chlorophenyl)carbamoyl]-N~2~-[(4-oxoquinazolin-3(4H)-yl)methyl]glycinamide
Database identifiers
- CAS
76979-56-1- PubChem CID
- 3059664
- DTXSID
DTXSID10227761
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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