2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one

C24H22N2O2S — CID 134132118

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22N2O2S/c1-16-4-9-19(10-5-16)26-23(27)21-14-17(2)6-13-22(21)25-24(26)29-15-18-7-11-20(28-3)12-8-18/h4-14H,15H2,1-3H3
InChIKeyYDINGRRXZFFLST-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.30
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one

2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 134132118) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one
PubChem CID134132118
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one
SMILESCOc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22N2O2S/c1-16-4-9-19(10-5-16)26-23(27)21-14-17(2)6-13-22(21)25-24(26)29-15-18-7-11-20(28-3)12-8-18/h4-14H,15H2,1-3H3
InChIKeyYDINGRRXZFFLST-UHFFFAOYSA-N
XLogP5.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one (CID 134132118) is 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one is COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is YDINGRRXZFFLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-16-4-9-19(10-5-16)26-23(27)21-14-17(2)6-13-22(21)25-24(26)29-15-18-7-11-20(28-3)12-8-18/h4-14H,15H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one?
2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one has a molecular weight of 402.52 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-3-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 134132118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).