6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one

C15H11FN2OS — CID 167090428

IUPAC6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
SMILESCSc1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12
InChIInChI=1S/C15H11FN2OS/c1-20-13-7-10(9-2-4-11(16)5-3-9)6-12-14(13)17-8-18-15(12)19/h2-8H,1H3,(H,17,18,19)
InChIKeyMZBYDBBYTABOBZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.45
Rot. Bonds2

About 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one

6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one (PubChem CID 167090428) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
PubChem CID167090428
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
SMILESCSc1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12
InChIInChI=1S/C15H11FN2OS/c1-20-13-7-10(9-2-4-11(16)5-3-9)6-12-14(13)17-8-18-15(12)19/h2-8H,1H3,(H,17,18,19)
InChIKeyMZBYDBBYTABOBZ-UHFFFAOYSA-N
XLogP3.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one (CID 167090428) is 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one is CSc1cc(-c2ccc(F)cc2)cc2c(=O)[nH]cnc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one?
The InChIKey is MZBYDBBYTABOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-20-13-7-10(9-2-4-11(16)5-3-9)6-12-14(13)17-8-18-15(12)19/h2-8H,1H3,(H,17,18,19).
What are the key properties of 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one?
6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one has a molecular weight of 286.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 167090428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).