3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one

C24H18F2N2O4S — CID 16532138

IUPAC3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C24H18F2N2O4S/c1-31-21-10-7-14(11-22(21)32-2)20(29)13-33-24-27-18-6-4-3-5-16(18)23(30)28(24)19-9-8-15(25)12-17(19)26/h3-12H,13H2,1-2H3
InChIKeyUNOGMIAWDIZFTE-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.66
Rot. Bonds7

About 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one

3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 16532138) has the molecular formula C24H18F2N2O4S and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID16532138
Molecular FormulaC24H18F2N2O4S
Molecular Weight468.48 g/mol
Exact Mass468.10
IUPAC Name3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCOc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C24H18F2N2O4S/c1-31-21-10-7-14(11-22(21)32-2)20(29)13-33-24-27-18-6-4-3-5-16(18)23(30)28(24)19-9-8-15(25)12-17(19)26/h3-12H,13H2,1-2H3
InChIKeyUNOGMIAWDIZFTE-UHFFFAOYSA-N
XLogP4.66
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-difluorophenyl)-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 24618176
3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 32698535
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16532141
3-(2,4-difluorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylquinazolin-4-one
CID 2414993
3-(3,4-dimethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16538578
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(2,4-difluorophenyl)quinazolin-4-one
CID 4812968
2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
CID 2161843
3-(2,4-difluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one
CID 2365295
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2352794
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 24573279
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532474
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 41326830

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (CID 16532138) is 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1OC.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is UNOGMIAWDIZFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O4S/c1-31-21-10-7-14(11-22(21)32-2)20(29)13-33-24-27-18-6-4-3-5-16(18)23(30)28(24)19-9-8-15(25)12-17(19)26/h3-12H,13H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 468.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 16532138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).