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

C23H16F2N2O2S — CID 32698535

IUPAC3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H16F2N2O2S/c1-14-6-8-15(9-7-14)21(28)13-30-23-26-19-5-3-2-4-17(19)22(29)27(23)20-11-10-16(24)12-18(20)25/h2-12H,13H2,1H3
InChIKeyVUTBZNCDKJMJQF-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.95
Rot. Bonds5

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

3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 32698535) has the molecular formula C23H16F2N2O2S and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID32698535
Molecular FormulaC23H16F2N2O2S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC Name3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
SMILESCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C23H16F2N2O2S/c1-14-6-8-15(9-7-14)21(28)13-30-23-26-19-5-3-2-4-17(19)22(29)27(23)20-11-10-16(24)12-18(20)25/h2-12H,13H2,1H3
InChIKeyVUTBZNCDKJMJQF-UHFFFAOYSA-N
XLogP4.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-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

3-(2,4-difluorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylquinazolin-4-one
CID 2414993
3-(2,4-difluorophenyl)-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 16532138
3-(2,4-difluorophenyl)-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 24618176
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-(2,4-difluorophenyl)quinazolin-4-one
CID 4812968
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-(3,5-dimethylphenyl)acetamide
CID 16532181
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2652421
N-benzyl-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2586169
2-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
CID 2494654
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 16532167
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 41326830
3-(2,4-difluorophenyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 41124096

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one (CID 32698535) is 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is VUTBZNCDKJMJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2S/c1-14-6-8-15(9-7-14)21(28)13-30-23-26-19-5-3-2-4-17(19)22(29)27(23)20-11-10-16(24)12-18(20)25/h2-12H,13H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one?
3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 422.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 32698535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).