6-(methylamino)-7-methylsulfanylquinoline-5,8-dione

C11H10N2O2S — CID 46861810

IUPAC6-(methylamino)-7-methylsulfanylquinoline-5,8-dione
SMILESCNC1=C(SC)C(=O)c2ncccc2C1=O
InChIInChI=1S/C11H10N2O2S/c1-12-8-9(14)6-4-3-5-13-7(6)10(15)11(8)16-2/h3-5,12H,1-2H3
InChIKeyWDACWBAHRVXGTB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.25
Rot. Bonds2

About 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione

6-(methylamino)-7-methylsulfanylquinoline-5,8-dione (PubChem CID 46861810) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione.

Molecular Properties

Compound Name6-(methylamino)-7-methylsulfanylquinoline-5,8-dione
PubChem CID46861810
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name6-(methylamino)-7-methylsulfanylquinoline-5,8-dione
SMILESCNC1=C(SC)C(=O)c2ncccc2C1=O
InChIInChI=1S/C11H10N2O2S/c1-12-8-9(14)6-4-3-5-13-7(6)10(15)11(8)16-2/h3-5,12H,1-2H3
InChIKeyWDACWBAHRVXGTB-UHFFFAOYSA-N
XLogP1.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione?
The IUPAC name of 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione (CID 46861810) is 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione.
What is the SMILES notation for 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione?
The canonical SMILES for 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione is CNC1=C(SC)C(=O)c2ncccc2C1=O.
What is the InChIKey of 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione?
The InChIKey is WDACWBAHRVXGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-12-8-9(14)6-4-3-5-13-7(6)10(15)11(8)16-2/h3-5,12H,1-2H3.
What are the key properties of 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione?
6-(methylamino)-7-methylsulfanylquinoline-5,8-dione has a molecular weight of 234.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-7-methylsulfanylquinoline-5,8-dione is sourced from PubChem (CID 46861810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).