3,8-dimethyl-2-methylsulfinylquinazolin-4-one

C11H12N2O2S — CID 123728999

IUPAC3,8-dimethyl-2-methylsulfinylquinazolin-4-one
SMILESCc1cccc2c(=O)n(C)c(S(C)=O)nc12
InChIInChI=1S/C11H12N2O2S/c1-7-5-4-6-8-9(7)12-11(16(3)15)13(2)10(8)14/h4-6H,1-3H3
InChIKeyMRTGGWHCBMSYKD-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.98
Rot. Bonds1

About 3,8-dimethyl-2-methylsulfinylquinazolin-4-one

3,8-dimethyl-2-methylsulfinylquinazolin-4-one (PubChem CID 123728999) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3,8-dimethyl-2-methylsulfinylquinazolin-4-one.

Molecular Properties

Compound Name3,8-dimethyl-2-methylsulfinylquinazolin-4-one
PubChem CID123728999
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3,8-dimethyl-2-methylsulfinylquinazolin-4-one
SMILESCc1cccc2c(=O)n(C)c(S(C)=O)nc12
InChIInChI=1S/C11H12N2O2S/c1-7-5-4-6-8-9(7)12-11(16(3)15)13(2)10(8)14/h4-6H,1-3H3
InChIKeyMRTGGWHCBMSYKD-UHFFFAOYSA-N
XLogP0.98
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,8-dimethyl-2-methylsulfinylquinazolin-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

8-methyl-3-(4-methylphenyl)quinazolin-4-one
CID 155535290
4,5,10-trimethylphenanthridin-6-one
CID 132522082
3-(4-iodophenyl)-8-methylquinazolin-4-one
CID 155538395
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475
3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide
CID 53159177
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489164
2-acetyl-8-bromo-3-methylquinazolin-4-one
CID 84812020
8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one
CID 90004402
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
2-amino-8-chloro-3-methylquinazolin-4-one
CID 84780957

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-methylsulfinylquinazolin-4-one?
The IUPAC name of 3,8-dimethyl-2-methylsulfinylquinazolin-4-one (CID 123728999) is 3,8-dimethyl-2-methylsulfinylquinazolin-4-one.
What is the SMILES notation for 3,8-dimethyl-2-methylsulfinylquinazolin-4-one?
The canonical SMILES for 3,8-dimethyl-2-methylsulfinylquinazolin-4-one is Cc1cccc2c(=O)n(C)c(S(C)=O)nc12.
What is the InChIKey of 3,8-dimethyl-2-methylsulfinylquinazolin-4-one?
The InChIKey is MRTGGWHCBMSYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-5-4-6-8-9(7)12-11(16(3)15)13(2)10(8)14/h4-6H,1-3H3.
What are the key properties of 3,8-dimethyl-2-methylsulfinylquinazolin-4-one?
3,8-dimethyl-2-methylsulfinylquinazolin-4-one has a molecular weight of 236.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-methylsulfinylquinazolin-4-one is sourced from PubChem (CID 123728999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).