6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline

C15H10BrClN2S — CID 79215585

IUPAC6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline
SMILESCSc1ccc(-c2nc(Cl)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C15H10BrClN2S/c1-20-11-5-2-9(3-6-11)15-18-13-7-4-10(16)8-12(13)14(17)19-15/h2-8H,1H3
InChIKeyPBOYDFXKYXUCNE-UHFFFAOYSA-N
MW365.68 g/mol
LogP5.43
Rot. Bonds2

About 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline

6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline (PubChem CID 79215585) has the molecular formula C15H10BrClN2S and a molecular weight of 365.68 g/mol. Its IUPAC name is 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline
PubChem CID79215585
Molecular FormulaC15H10BrClN2S
Molecular Weight365.68 g/mol
Exact Mass363.94
IUPAC Name6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline
SMILESCSc1ccc(-c2nc(Cl)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C15H10BrClN2S/c1-20-11-5-2-9(3-6-11)15-18-13-7-4-10(16)8-12(13)14(17)19-15/h2-8H,1H3
InChIKeyPBOYDFXKYXUCNE-UHFFFAOYSA-N
XLogP5.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.68
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline?
The IUPAC name of 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline (CID 79215585) is 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline.
What is the SMILES notation for 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline?
The canonical SMILES for 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline is CSc1ccc(-c2nc(Cl)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline?
The InChIKey is PBOYDFXKYXUCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2S/c1-20-11-5-2-9(3-6-11)15-18-13-7-4-10(16)8-12(13)14(17)19-15/h2-8H,1H3.
What are the key properties of 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline?
6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline has a molecular weight of 365.68 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline is sourced from PubChem (CID 79215585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).