7-Acetamido-4-(3-bromoanilino)-6-nitroquinazoline

HCID 5328217

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

Related reactions

5 records

Compound notes

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