6-propan-2-ylsulfanyl-3H-quinazolin-4-one

C11H12N2OS — CID 136641879

IUPAC6-propan-2-ylsulfanyl-3H-quinazolin-4-one
SMILESCC(C)Sc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C11H12N2OS/c1-7(2)15-8-3-4-10-9(5-8)11(14)13-6-12-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyFGOXXXONPZMOEC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.42
Rot. Bonds2

About 6-propan-2-ylsulfanyl-3H-quinazolin-4-one

6-propan-2-ylsulfanyl-3H-quinazolin-4-one (PubChem CID 136641879) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-propan-2-ylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-propan-2-ylsulfanyl-3H-quinazolin-4-one
PubChem CID136641879
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name6-propan-2-ylsulfanyl-3H-quinazolin-4-one
SMILESCC(C)Sc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C11H12N2OS/c1-7(2)15-8-3-4-10-9(5-8)11(14)13-6-12-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyFGOXXXONPZMOEC-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-ylsulfanyl-3H-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 6-propan-2-ylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 6-propan-2-ylsulfanyl-3H-quinazolin-4-one (CID 136641879) is 6-propan-2-ylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-propan-2-ylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 6-propan-2-ylsulfanyl-3H-quinazolin-4-one is CC(C)Sc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 6-propan-2-ylsulfanyl-3H-quinazolin-4-one?
The InChIKey is FGOXXXONPZMOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(2)15-8-3-4-10-9(5-8)11(14)13-6-12-10/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 6-propan-2-ylsulfanyl-3H-quinazolin-4-one?
6-propan-2-ylsulfanyl-3H-quinazolin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 136641879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).