6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline

C15H8BrF3N2S — CID 175421349

IUPAC6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(Sc2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C15H8BrF3N2S/c16-9-6-7-12-11(8-9)13(21-14(20-12)15(17,18)19)22-10-4-2-1-3-5-10/h1-8H
InChIKeyCZNJXGOVYQYAPC-UHFFFAOYSA-N
MW385.21 g/mol
LogP5.56
Rot. Bonds2

About 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline

6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline (PubChem CID 175421349) has the molecular formula C15H8BrF3N2S and a molecular weight of 385.21 g/mol. Its IUPAC name is 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline
PubChem CID175421349
Molecular FormulaC15H8BrF3N2S
Molecular Weight385.21 g/mol
Exact Mass383.95
IUPAC Name6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(Sc2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C15H8BrF3N2S/c16-9-6-7-12-11(8-9)13(21-14(20-12)15(17,18)19)22-10-4-2-1-3-5-10/h1-8H
InChIKeyCZNJXGOVYQYAPC-UHFFFAOYSA-N
XLogP5.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.21
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline?
The IUPAC name of 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline (CID 175421349) is 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline is FC(F)(F)c1nc(Sc2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline?
The InChIKey is CZNJXGOVYQYAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2S/c16-9-6-7-12-11(8-9)13(21-14(20-12)15(17,18)19)22-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline?
6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline has a molecular weight of 385.21 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenylsulfanyl-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 175421349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).