3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one

C14H11N3OS — CID 3332007

IUPAC3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESCc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)nc1
InChIInChI=1S/C14H11N3OS/c1-9-6-7-12(15-8-9)17-13(18)10-4-2-3-5-11(10)16-14(17)19/h2-8H,1H3,(H,16,19)
InChIKeyCKQWJHOXJDMCGC-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.75
Rot. Bonds1

About 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one

3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 3332007) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID3332007
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILESCc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)nc1
InChIInChI=1S/C14H11N3OS/c1-9-6-7-12(15-8-9)17-13(18)10-4-2-3-5-11(10)16-14(17)19/h2-8H,1H3,(H,16,19)
InChIKeyCKQWJHOXJDMCGC-UHFFFAOYSA-N
XLogP2.75
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-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-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4775218
3-[4-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 15134035
3-[(6-methyl-3-pyridinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 61059183
3-(2-methylsulfanylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 23768763
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 670685
3-(5-methyl-2-pyridinyl)-2-pyridin-2-ylquinazolin-4-one
CID 102475909
3-(5-chloro-2-hydroxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4775290
3-(2,4-dimethyl-6-oxo-1-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4775259
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 49466355
3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 135017548
3-(1-pyridin-2-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 43396381

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one (CID 3332007) is 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one is Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is CKQWJHOXJDMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-9-6-7-12(15-8-9)17-13(18)10-4-2-3-5-11(10)16-14(17)19/h2-8H,1H3,(H,16,19).
What are the key properties of 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one?
3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 269.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 3332007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).