N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
Basic information
- CAS
52128-38-8- Standard SMILES
Cc1c(CN(N=O)c2ccc(Cl)c(Cl)c2)ccc2nc(N)nc(N)c12- InChIKey
XWUYLZPZGCTEFB-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2N6O
- Average molar mass
- 377.2 g/mol
- Monoisotopic mass
- 376.0606145
Names & identifiers
- Preferred name
- N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
- IUPAC
- N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amide
Names & synonyms
52128-38-8NSC250417N-[(2,4-diamino-5-methylquinazolin-6-yl)methyl]-N-(3,4-dichlorophenyl)nitrous amideCHEMBL49857DTXSID50312125XWUYLZPZGCTEFB-UHFFFAOYSA-NNSC-2504172,4-Diamino-6-[[3,4-dichloro-N-nitrosoanilino]methyl]-5-methylquinazoline6-([1-(3,4-Dichlorophenyl)-2-oxohydrazino]methyl)-5-methyl-2,4-quinazolinediamine #
Database identifiers
- CAS
52128-38-8- PubChem CID
- 317601
- DTXSID
DTXSID50312125- ChEMBL
CHEMBL49857
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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