2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one

C12H11NOS — CID 162672963

IUPAC2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one
SMILESCS/C=C/c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H11NOS/c1-15-7-6-9-8-12(14)10-4-2-3-5-11(10)13-9/h2-8H,1H3,(H,13,14)/b7-6+
InChIKeyJSADLZLANKIJJX-VOTSOKGWSA-N
MW217.29 g/mol
LogP2.86
Rot. Bonds2

About 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one

2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one (PubChem CID 162672963) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one
PubChem CID162672963
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one
SMILESCS/C=C/c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H11NOS/c1-15-7-6-9-8-12(14)10-4-2-3-5-11(10)13-9/h2-8H,1H3,(H,13,14)/b7-6+
InChIKeyJSADLZLANKIJJX-VOTSOKGWSA-N
XLogP2.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one (CID 162672963) is 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one is CS/C=C/c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one?
The InChIKey is JSADLZLANKIJJX-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H11NOS/c1-15-7-6-9-8-12(14)10-4-2-3-5-11(10)13-9/h2-8H,1H3,(H,13,14)/b7-6+.
What are the key properties of 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one?
2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one has a molecular weight of 217.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylsulfanylethenyl]-1H-quinolin-4-one is sourced from PubChem (CID 162672963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).