6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one

C18H15BrN4O3S — CID 39976926

IUPAC6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2nc(-c3ccco3)no2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H15BrN4O3S/c1-2-7-23-17(24)12-9-11(19)5-6-13(12)20-18(23)27-10-15-21-16(22-26-15)14-4-3-8-25-14/h3-6,8-9H,2,7,10H2,1H3
InChIKeyLBYAVFPBCYTKQV-UHFFFAOYSA-N
MW447.31 g/mol
LogP4.50
Rot. Bonds6

About 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one

6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one (PubChem CID 39976926) has the molecular formula C18H15BrN4O3S and a molecular weight of 447.31 g/mol. Its IUPAC name is 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
PubChem CID39976926
Molecular FormulaC18H15BrN4O3S
Molecular Weight447.31 g/mol
Exact Mass446.00
IUPAC Name6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2nc(-c3ccco3)no2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H15BrN4O3S/c1-2-7-23-17(24)12-9-11(19)5-6-13(12)20-18(23)27-10-15-21-16(22-26-15)14-4-3-8-25-14/h3-6,8-9H,2,7,10H2,1H3
InChIKeyLBYAVFPBCYTKQV-UHFFFAOYSA-N
XLogP4.50
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one with MolForge

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Related Compounds

6-bromo-2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-ethylquinazolin-4-one
CID 43031861
6-bromo-3-ethyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 24649611
2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-fluoro-3-propylquinazolin-4-one
CID 131703471
3-propyl-2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 131703462
2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 42585600
6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 131702445
6-bromo-3-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 37143581
6-bromo-2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 46624081
6-bromo-2-[(6-chloro-3-pyridinyl)methylsulfanyl]-3-propylquinazolin-4-one
CID 38930447
3-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
CID 7896375
6-fluoro-2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 131704085
7-propyl-6-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 46386634

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one?
The IUPAC name of 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one (CID 39976926) is 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one is CCCn1c(SCc2nc(-c3ccco3)no2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one?
The InChIKey is LBYAVFPBCYTKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3S/c1-2-7-23-17(24)12-9-11(19)5-6-13(12)20-18(23)27-10-15-21-16(22-26-15)14-4-3-8-25-14/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one?
6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one has a molecular weight of 447.31 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 39976926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).