2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one

C24H20F2N2O4S — CID 42806010

IUPAC2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one
SMILESCOc1cc2c(=O)n(-c3ccccc3)c(SCc3ccc(F)c(F)c3)nc2c(OC)c1OC
InChIInChI=1S/C24H20F2N2O4S/c1-30-19-12-16-20(22(32-3)21(19)31-2)27-24(28(23(16)29)15-7-5-4-6-8-15)33-13-14-9-10-17(25)18(26)11-14/h4-12H,13H2,1-3H3
InChIKeyVRYIUXKLFHRMOP-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.98
Rot. Bonds7

About 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one

2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one (PubChem CID 42806010) has the molecular formula C24H20F2N2O4S and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one
PubChem CID42806010
Molecular FormulaC24H20F2N2O4S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one
SMILESCOc1cc2c(=O)n(-c3ccccc3)c(SCc3ccc(F)c(F)c3)nc2c(OC)c1OC
InChIInChI=1S/C24H20F2N2O4S/c1-30-19-12-16-20(22(32-3)21(19)31-2)27-24(28(23(16)29)15-7-5-4-6-8-15)33-13-14-9-10-17(25)18(26)11-14/h4-12H,13H2,1-3H3
InChIKeyVRYIUXKLFHRMOP-UHFFFAOYSA-N
XLogP4.98
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-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-(1,3-benzodioxol-5-ylmethylsulfanyl)-6,7,8-trimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 42806067
3-(4-chlorophenyl)-6,7-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134139321
2-benzylsulfanyl-3-(3,4-difluorophenyl)quinazolin-4-one
CID 23878433
6,7-dimethoxy-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134146044
3-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-one
CID 3786495
3-phenyl-2-[(2,3,4-trimethoxy-6-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 5295613
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 7841206
3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562
2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95921313
2-[(2,5-difluorophenyl)methylsulfanyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 51365793
2-[(3,4-difluorophenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 95921311

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one (CID 42806010) is 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one is COc1cc2c(=O)n(-c3ccccc3)c(SCc3ccc(F)c(F)c3)nc2c(OC)c1OC.
What is the InChIKey of 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one?
The InChIKey is VRYIUXKLFHRMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O4S/c1-30-19-12-16-20(22(32-3)21(19)31-2)27-24(28(23(16)29)15-7-5-4-6-8-15)33-13-14-9-10-17(25)18(26)11-14/h4-12H,13H2,1-3H3.
What are the key properties of 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one?
2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one has a molecular weight of 470.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methylsulfanyl]-6,7,8-trimethoxy-3-phenylquinazolin-4-one is sourced from PubChem (CID 42806010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).