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

C18H15FN2O2S — CID 8675671

IUPAC3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCCn1c(SCC(=O)c2cccc(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C18H15FN2O2S/c1-2-21-17(23)14-8-3-4-9-15(14)20-18(21)24-11-16(22)12-6-5-7-13(19)10-12/h3-10H,2,11H2,1H3
InChIKeyRKQXMUZWCWXROX-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.53
Rot. Bonds5

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

3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 8675671) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID8675671
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCCn1c(SCC(=O)c2cccc(F)c2)nc2ccccc2c1=O
InChIInChI=1S/C18H15FN2O2S/c1-2-21-17(23)14-8-3-4-9-15(14)20-18(21)24-11-16(22)12-6-5-7-13(19)10-12/h3-10H,2,11H2,1H3
InChIKeyRKQXMUZWCWXROX-UHFFFAOYSA-N
XLogP3.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 8677249
2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 8676139
2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 8676237
2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 7558965
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
4-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoic acid
CID 45471479
methyl 3-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate
CID 7876216
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
3-ethyl-2-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanylquinazolin-4-one
CID 110883403
methyl 2-[2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647693
2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 16537905
N-[2-[4-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]ethyl]methanesulfonamide
CID 24527911

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one (CID 8675671) is 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one is CCn1c(SCC(=O)c2cccc(F)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is RKQXMUZWCWXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-2-21-17(23)14-8-3-4-9-15(14)20-18(21)24-11-16(22)12-6-5-7-13(19)10-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 342.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 8675671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).