Completing data — usually done within a minute
Basic information
- CAS
169205-91-8- Standard SMILES
CC(=O)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-]- InChIKey
DZUKQELTOOTLPR-UHFFFAOYSA-N- Molecular formula
- C16H12BrN5O3
- Average molar mass
- 402.2 g/mol
- Monoisotopic mass
- 401.01235134
Names & identifiers
- Preferred name
- 7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline
- IUPAC
- N-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]acetamide
Names & synonyms
169205-91-87-acetamido-4-(3-bromoanilino)-6-nitroquinazolineDTXSID00416147RefChem:310231DTXCID00366996N-(4-((3-Bromophenyl)amino)-6-nitroquinazolin-7-yl)acetamideCHEMBL93734N-{4-[(3-bromophenyl)amino]-6-nitroquinazolin-7-yl}acetamideN-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]acetamideBDBM3551SCHEMBL7216285DZUKQELTOOTLPR-UHFFFAOYSA-N
Show more names
DA-35843
Database identifiers
- CAS
169205-91-8- PubChem CID
- 5328217
- DTXSID
DTXSID00416147- ChEMBL
CHEMBL93734
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Related reactions
5 records
Compound notes
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