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

C24H22N2OS — CID 51365745

IUPAC3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H22N2OS/c1-17-7-11-19(12-8-17)15-26-23(27)21-5-3-4-6-22(21)25-24(26)28-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3
InChIKeyUDSOLMNKPVVIEA-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.35
Rot. Bonds5

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

3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one (PubChem CID 51365745) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
PubChem CID51365745
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
SMILESCc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H22N2OS/c1-17-7-11-19(12-8-17)15-26-23(27)21-5-3-4-6-22(21)25-24(26)28-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3
InChIKeyUDSOLMNKPVVIEA-UHFFFAOYSA-N
XLogP5.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Related Compounds

3-[(4-methylphenyl)methyl]-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 7265161
3-[(4-methylphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 2609185
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 18098591
2-[[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 3895934
3-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 7227460
2-[2-(4-methylphenoxy)ethylsulfanyl]-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 7227057
3-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365410
ethyl N-[2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 7265094
2-benzylsulfanyl-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 51365254
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 2609124

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one (CID 51365745) is 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one is Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one?
The InChIKey is UDSOLMNKPVVIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-17-7-11-19(12-8-17)15-26-23(27)21-5-3-4-6-22(21)25-24(26)28-16-20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one?
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one has a molecular weight of 386.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 51365745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).