3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one

C25H24N2O4S — CID 134146706

IUPAC3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C25H24N2O4S/c1-16-5-11-21-20(13-16)24(28)27(22-12-10-19(30-3)14-23(22)31-4)25(26-21)32-15-17-6-8-18(29-2)9-7-17/h5-14H,15H2,1-4H3
InChIKeyDVPZOCAYJZREPZ-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.01
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one

3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one (PubChem CID 134146706) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one
PubChem CID134146706
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C25H24N2O4S/c1-16-5-11-21-20(13-16)24(28)27(22-12-10-19(30-3)14-23(22)31-4)25(26-21)32-15-17-6-8-18(29-2)9-7-17/h5-14H,15H2,1-4H3
InChIKeyDVPZOCAYJZREPZ-UHFFFAOYSA-N
XLogP5.01
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one (CID 134146706) is 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one is COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one?
The InChIKey is DVPZOCAYJZREPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-16-5-11-21-20(13-16)24(28)27(22-12-10-19(30-3)14-23(22)31-4)25(26-21)32-15-17-6-8-18(29-2)9-7-17/h5-14H,15H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one?
3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one has a molecular weight of 448.54 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylquinazolin-4-one is sourced from PubChem (CID 134146706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).