6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one

C15H8Cl2N4O2S — CID 38858587

IUPAC6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)cc(Cl)c2ncn1Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H8Cl2N4O2S/c16-9-3-10-13(11(17)4-9)18-7-21(15(10)22)5-12-19-14(23-20-12)8-1-2-24-6-8/h1-4,6-7H,5H2
InChIKeyXQQGDILQUFCLIK-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.86
Rot. Bonds3

About 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one

6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (PubChem CID 38858587) has the molecular formula C15H8Cl2N4O2S and a molecular weight of 379.23 g/mol. Its IUPAC name is 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
PubChem CID38858587
Molecular FormulaC15H8Cl2N4O2S
Molecular Weight379.23 g/mol
Exact Mass377.97
IUPAC Name6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)cc(Cl)c2ncn1Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H8Cl2N4O2S/c16-9-3-10-13(11(17)4-9)18-7-21(15(10)22)5-12-19-14(23-20-12)8-1-2-24-6-8/h1-4,6-7H,5H2
InChIKeyXQQGDILQUFCLIK-UHFFFAOYSA-N
XLogP3.86
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-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
6,8-dichloro-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 30759999
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
7-methyl-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 55578168
7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 17407844
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38847606
1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 62654121
6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one
CID 71997097
(4aR,8aR)-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 124775386
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
CID 17459984

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (CID 38858587) is 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1noc(-c2ccsc2)n1.
What is the InChIKey of 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The InChIKey is XQQGDILQUFCLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4O2S/c16-9-3-10-13(11(17)4-9)18-7-21(15(10)22)5-12-19-14(23-20-12)8-1-2-24-6-8/h1-4,6-7H,5H2.
What are the key properties of 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one has a molecular weight of 379.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 38858587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).