4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline

C15H10ClFN2S — CID 79215695

IUPAC4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline
SMILESCSc1ccccc1-c1nc(Cl)c2ccc(F)cc2n1
InChIInChI=1S/C15H10ClFN2S/c1-20-13-5-3-2-4-11(13)15-18-12-8-9(17)6-7-10(12)14(16)19-15/h2-8H,1H3
InChIKeyJYYRKQIBKXVNGE-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.81
Rot. Bonds2

About 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline

4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline (PubChem CID 79215695) has the molecular formula C15H10ClFN2S and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline
PubChem CID79215695
Molecular FormulaC15H10ClFN2S
Molecular Weight304.78 g/mol
Exact Mass304.02
IUPAC Name4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline
SMILESCSc1ccccc1-c1nc(Cl)c2ccc(F)cc2n1
InChIInChI=1S/C15H10ClFN2S/c1-20-13-5-3-2-4-11(13)15-18-12-8-9(17)6-7-10(12)14(16)19-15/h2-8H,1H3
InChIKeyJYYRKQIBKXVNGE-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline?
The IUPAC name of 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline (CID 79215695) is 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline?
The canonical SMILES for 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline is CSc1ccccc1-c1nc(Cl)c2ccc(F)cc2n1.
What is the InChIKey of 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline?
The InChIKey is JYYRKQIBKXVNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2S/c1-20-13-5-3-2-4-11(13)15-18-12-8-9(17)6-7-10(12)14(16)19-15/h2-8H,1H3.
What are the key properties of 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline?
4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline has a molecular weight of 304.78 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline is sourced from PubChem (CID 79215695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).