4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-(3-methylthiopropoxy)quinazoline

HCID 22478281

Basic information

Standard SMILES
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCSC
InChIKey
WBZYGYBGPCFOKP-UHFFFAOYSA-N
Molecular formula
C19H19BrFN3O2S
Average molar mass
452.3 g/mol

Names & identifiers

Preferred name
4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-(3-methylthiopropoxy)quinazoline
IUPAC
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(3-methylsulfanylpropoxy)quinazolin-4-amine

Names & synonyms

SCHEMBL1467577WBZYGYBGPCFOKP-UHFFFAOYSA-N4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(3 methylthiopropoxy)quinazoline4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(3-methylthiopropoxy)quinazoline

Database identifiers

PubChem CID
22478281

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
81.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
27

Related reactions

9 records

Compound notes

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