3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one

C22H22N4O2S — CID 36819270

IUPAC3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
SMILESCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2CC)n1
InChIInChI=1S/C22H22N4O2S/c1-3-9-19-24-20(28-25-19)14-29-22-23-17-12-7-6-11-16(17)21(27)26(22)18-13-8-5-10-15(18)4-2/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKeyZVWNMTDBYFNIGJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.58
Rot. Bonds7

About 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one

3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 36819270) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
PubChem CID36819270
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
SMILESCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2CC)n1
InChIInChI=1S/C22H22N4O2S/c1-3-9-19-24-20(28-25-19)14-29-22-23-17-12-7-6-11-16(17)21(27)26(22)18-13-8-5-10-15(18)4-2/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKeyZVWNMTDBYFNIGJ-UHFFFAOYSA-N
XLogP4.58
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one with MolForge

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Related Compounds

3-(2-propan-2-ylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 36679445
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
CID 24651629
3-(2-ethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 8665814
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 25332739
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one
CID 36682447
3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 55533484
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 38869162
3-(2,5-dimethylphenyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 24631347
3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 52566819
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 38868814
5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47146324
3-(4-methoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 37283773

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one (CID 36819270) is 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one is CCCc1noc(CSc2nc3ccccc3c(=O)n2-c2ccccc2CC)n1.
What is the InChIKey of 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is ZVWNMTDBYFNIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-3-9-19-24-20(28-25-19)14-29-22-23-17-12-7-6-11-16(17)21(27)26(22)18-13-8-5-10-15(18)4-2/h5-8,10-13H,3-4,9,14H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one?
3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 406.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 36819270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).