3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one

C24H16F2N4O2S — CID 75863016

IUPAC3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H16F2N4O2S/c1-14(22-28-21(29-32-22)15-7-3-2-4-8-15)33-24-27-19-10-6-5-9-17(19)23(31)30(24)20-12-11-16(25)13-18(20)26/h2-14H,1H3
InChIKeyOWUSTFVAHJDBGH-UHFFFAOYSA-N
MW462.48 g/mol
LogP5.57
Rot. Bonds5

About 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one

3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one (PubChem CID 75863016) has the molecular formula C24H16F2N4O2S and a molecular weight of 462.48 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
PubChem CID75863016
Molecular FormulaC24H16F2N4O2S
Molecular Weight462.48 g/mol
Exact Mass462.10
IUPAC Name3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C24H16F2N4O2S/c1-14(22-28-21(29-32-22)15-7-3-2-4-8-15)33-24-27-19-10-6-5-9-17(19)23(31)30(24)20-12-11-16(25)13-18(20)26/h2-14H,1H3
InChIKeyOWUSTFVAHJDBGH-UHFFFAOYSA-N
XLogP5.57
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
CID 2365337
3-(2,4-difluorophenyl)-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]quinazolin-4-one
CID 46824343
5-[1-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 47023408
6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one
CID 136966181
3-(2,4-difluorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylquinazolin-4-one
CID 2414993
(2S)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2586102
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2652421
3-(2,4-difluorophenyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 9491393
3-(2,4-difluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 2365295
3-(3,5-dimethylphenyl)-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 46567463
3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 32698535

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one (CID 75863016) is 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one is CC(Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
The InChIKey is OWUSTFVAHJDBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2S/c1-14(22-28-21(29-32-22)15-7-3-2-4-8-15)33-24-27-19-10-6-5-9-17(19)23(31)30(24)20-12-11-16(25)13-18(20)26/h2-14H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one?
3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one has a molecular weight of 462.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 75863016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).