7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

C15H9ClN4O2S — CID 17407844

IUPAC7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H9ClN4O2S/c16-10-1-2-11-12(5-10)17-8-20(15(11)21)6-13-18-14(19-22-13)9-3-4-23-7-9/h1-5,7-8H,6H2
InChIKeyJZTHWSXJALHVDD-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.21
Rot. Bonds3

About 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 17407844) has the molecular formula C15H9ClN4O2S and a molecular weight of 344.78 g/mol. Its IUPAC name is 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
PubChem CID17407844
Molecular FormulaC15H9ClN4O2S
Molecular Weight344.78 g/mol
Exact Mass344.01
IUPAC Name7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H9ClN4O2S/c16-10-1-2-11-12(5-10)17-8-20(15(11)21)6-13-18-14(19-22-13)9-3-4-23-7-9/h1-5,7-8H,6H2
InChIKeyJZTHWSXJALHVDD-UHFFFAOYSA-N
XLogP3.21
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (CID 17407844) is 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is O=c1c2ccc(Cl)cc2ncn1Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is JZTHWSXJALHVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2S/c16-10-1-2-11-12(5-10)17-8-20(15(11)21)6-13-18-14(19-22-13)9-3-4-23-7-9/h1-5,7-8H,6H2.
What are the key properties of 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 344.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 17407844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).