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

C23H14ClFN4O2S — CID 24661588

IUPAC2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2noc(-c3ccccc3Cl)n2)n1-c1ccccc1F
InChIInChI=1S/C23H14ClFN4O2S/c24-16-9-3-1-7-14(16)21-27-20(28-31-21)13-32-23-26-18-11-5-2-8-15(18)22(30)29(23)19-12-6-4-10-17(19)25/h1-12H,13H2
InChIKeyNEKBSMIDBHHBFZ-UHFFFAOYSA-N
MW464.91 g/mol
LogP5.52
Rot. Bonds5

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

2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one (PubChem CID 24661588) has the molecular formula C23H14ClFN4O2S and a molecular weight of 464.91 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one
PubChem CID24661588
Molecular FormulaC23H14ClFN4O2S
Molecular Weight464.91 g/mol
Exact Mass464.05
IUPAC Name2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2noc(-c3ccccc3Cl)n2)n1-c1ccccc1F
InChIInChI=1S/C23H14ClFN4O2S/c24-16-9-3-1-7-14(16)21-27-20(28-31-21)13-32-23-26-18-11-5-2-8-15(18)22(30)29(23)19-12-6-4-10-17(19)25/h1-12H,13H2
InChIKeyNEKBSMIDBHHBFZ-UHFFFAOYSA-N
XLogP5.52
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(2,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 37325451
3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 60564067
3-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one
CID 43047156
5-(2-chlorophenyl)-3-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661576
3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 7846354
3-(2-fluorophenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one
CID 3966671
3-(3-chloro-4-fluorophenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]quinazolin-4-one
CID 2729986
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 38868814
2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3492101
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 36562784
2-[2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]isoindole-1,3-dione
CID 3942561
3-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 2651780

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one (CID 24661588) is 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2noc(-c3ccccc3Cl)n2)n1-c1ccccc1F.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one?
The InChIKey is NEKBSMIDBHHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4O2S/c24-16-9-3-1-7-14(16)21-27-20(28-31-21)13-32-23-26-18-11-5-2-8-15(18)22(30)29(23)19-12-6-4-10-17(19)25/h1-12H,13H2.
What are the key properties of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one?
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one has a molecular weight of 464.91 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(2-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 24661588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).