6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one

C23H23FN4O5S — CID 131702445

IUPAC6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
SMILESCCCn1c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)nc2ccc(F)cc2c1=O
InChIInChI=1S/C23H23FN4O5S/c1-5-8-28-22(29)15-11-14(24)6-7-16(15)25-23(28)34-12-19-26-21(27-33-19)13-9-17(30-2)20(32-4)18(10-13)31-3/h6-7,9-11H,5,8,12H2,1-4H3
InChIKeyRYZSZJJXGDXEOH-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.31
Rot. Bonds9

About 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one

6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one (PubChem CID 131702445) has the molecular formula C23H23FN4O5S and a molecular weight of 486.53 g/mol. Its IUPAC name is 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
PubChem CID131702445
Molecular FormulaC23H23FN4O5S
Molecular Weight486.53 g/mol
Exact Mass486.14
IUPAC Name6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
SMILESCCCn1c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)nc2ccc(F)cc2c1=O
InChIInChI=1S/C23H23FN4O5S/c1-5-8-28-22(29)15-11-14(24)6-7-16(15)25-23(28)34-12-19-26-21(27-33-19)13-9-17(30-2)20(32-4)18(10-13)31-3/h6-7,9-11H,5,8,12H2,1-4H3
InChIKeyRYZSZJJXGDXEOH-UHFFFAOYSA-N
XLogP4.31
TPSA101.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-fluoro-3-propylquinazolin-4-one
CID 131703471
6-fluoro-2-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 131704085
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pentylquinazolin-4-one
CID 91811154
6-bromo-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 39976926
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
3-butyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 16535474
3-propyl-2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 131703462
2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one
CID 51365343
2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 41429747
6-[[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-7-(3-methoxypropyl)-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 50829455
3-(3-methylbutyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 42204613
3-benzyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 91811188

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one (CID 131702445) is 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one is CCCn1c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)nc2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one?
The InChIKey is RYZSZJJXGDXEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5S/c1-5-8-28-22(29)15-11-14(24)6-7-16(15)25-23(28)34-12-19-26-21(27-33-19)13-9-17(30-2)20(32-4)18(10-13)31-3/h6-7,9-11H,5,8,12H2,1-4H3.
What are the key properties of 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one?
6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one has a molecular weight of 486.53 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propyl-2-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 131702445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).