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

C15H9ClN4O2S — CID 38963586

IUPAC6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H9ClN4O2S/c16-10-1-2-12-11(5-10)15(21)20(8-17-12)6-13-18-14(22-19-13)9-3-4-23-7-9/h1-5,7-8H,6H2
InChIKeySPBKOJIDQKRVFP-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.21
Rot. Bonds3

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

6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (PubChem CID 38963586) has the molecular formula C15H9ClN4O2S and a molecular weight of 344.78 g/mol. Its IUPAC name is 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
PubChem CID38963586
Molecular FormulaC15H9ClN4O2S
Molecular Weight344.78 g/mol
Exact Mass344.01
IUPAC Name6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1noc(-c2ccsc2)n1
InChIInChI=1S/C15H9ClN4O2S/c16-10-1-2-12-11(5-10)15(21)20(8-17-12)6-13-18-14(22-19-13)9-3-4-23-7-9/h1-5,7-8H,6H2
InChIKeySPBKOJIDQKRVFP-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 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one with MolForge

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Related Compounds

6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38858587
7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 17407844
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
CID 38873237
5-(4-chlorophenyl)-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38847606
6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 38963071
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 32867112
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 30834389
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
3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one
CID 38963152
7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577851
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (CID 38963586) is 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1Cc1noc(-c2ccsc2)n1.
What is the InChIKey of 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The InChIKey is SPBKOJIDQKRVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2S/c16-10-1-2-12-11(5-10)15(21)20(8-17-12)6-13-18-14(22-19-13)9-3-4-23-7-9/h1-5,7-8H,6H2.
What are the key properties of 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-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 6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 38963586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).