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

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

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Related Compounds

6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
7-chloro-3-(2-methoxyethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 27361464
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
7-chloro-3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 24578370
6,8-dichloro-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 30759999
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
CID 38873237
5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227978
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
CID 141114894
5-[(4-chlorophenyl)methylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 2740447
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-7-chloroquinazolin-4-one
CID 24528451
6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38858587

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).