3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one

C16H14N2O2S — CID 659793

IUPAC3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
SMILESCOc1ccc(-n2c(SC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-12-9-7-11(8-10-12)18-15(19)13-5-3-4-6-14(13)17-16(18)21-2/h3-10H,1-2H3
InChIKeyMWPQQHBDGKZIHO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.12
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one

3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one (PubChem CID 659793) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
PubChem CID659793
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
SMILESCOc1ccc(-n2c(SC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C16H14N2O2S/c1-20-12-9-7-11(8-10-12)18-15(19)13-5-3-4-6-14(13)17-16(18)21-2/h3-10H,1-2H3
InChIKeyMWPQQHBDGKZIHO-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-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

(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1332861
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
2-methylsulfanyl-3-(4-nitrophenyl)quinazolin-4-one
CID 146171433
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
diethyl 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanedioate
CID 3783114
3-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-4-one
CID 7253272
N-carbamoyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7253259
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 3970898
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
(2S)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 7253261
N-tert-butyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 84880650

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one (CID 659793) is 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one is COc1ccc(-n2c(SC)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
The InChIKey is MWPQQHBDGKZIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-12-9-7-11(8-10-12)18-15(19)13-5-3-4-6-14(13)17-16(18)21-2/h3-10H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one?
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one has a molecular weight of 298.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one is sourced from PubChem (CID 659793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).