3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one

C18H17FN2O2S — CID 110883403

IUPAC3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one
SMILESCCn1c(SCC(O)c2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H17FN2O2S/c1-2-21-17(23)14-5-3-4-6-15(14)20-18(21)24-11-16(22)12-7-9-13(19)10-8-12/h3-10,16,22H,2,11H2,1H3
InChIKeyOWJYOMGUZBZLFN-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.38
Rot. Bonds5

About 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one

3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one (PubChem CID 110883403) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one
PubChem CID110883403
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one
SMILESCCn1c(SCC(O)c2ccc(F)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H17FN2O2S/c1-2-21-17(23)14-5-3-4-6-15(14)20-18(21)24-11-16(22)12-7-9-13(19)10-8-12/h3-10,16,22H,2,11H2,1H3
InChIKeyOWJYOMGUZBZLFN-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 8675671
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
3-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 110005199
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972
2-[1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 18286837
1-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55514937
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 977444
4-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoic acid
CID 45471479
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-3-ethylquinazolin-4-one
CID 60516393

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one (CID 110883403) is 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one is CCn1c(SCC(O)c2ccc(F)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one?
The InChIKey is OWJYOMGUZBZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-2-21-17(23)14-5-3-4-6-15(14)20-18(21)24-11-16(22)12-7-9-13(19)10-8-12/h3-10,16,22H,2,11H2,1H3.
What are the key properties of 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one?
3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one has a molecular weight of 344.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 110883403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).