7-(dimethylamino)-1-methylquinoline-2-thione

C12H14N2S — CID 23468241

IUPAC7-(dimethylamino)-1-methylquinoline-2-thione
SMILESCN(C)c1ccc2ccc(=S)n(C)c2c1
InChIInChI=1S/C12H14N2S/c1-13(2)10-6-4-9-5-7-12(15)14(3)11(9)8-10/h4-8H,1-3H3
InChIKeyCFHRKBURGUVKRD-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.97
Rot. Bonds1

About 7-(dimethylamino)-1-methylquinoline-2-thione

7-(dimethylamino)-1-methylquinoline-2-thione (PubChem CID 23468241) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 7-(dimethylamino)-1-methylquinoline-2-thione.

Molecular Properties

Compound Name7-(dimethylamino)-1-methylquinoline-2-thione
PubChem CID23468241
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name7-(dimethylamino)-1-methylquinoline-2-thione
SMILESCN(C)c1ccc2ccc(=S)n(C)c2c1
InChIInChI=1S/C12H14N2S/c1-13(2)10-6-4-9-5-7-12(15)14(3)11(9)8-10/h4-8H,1-3H3
InChIKeyCFHRKBURGUVKRD-UHFFFAOYSA-N
XLogP2.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-1-methylquinoline-2-thione?
The IUPAC name of 7-(dimethylamino)-1-methylquinoline-2-thione (CID 23468241) is 7-(dimethylamino)-1-methylquinoline-2-thione.
What is the SMILES notation for 7-(dimethylamino)-1-methylquinoline-2-thione?
The canonical SMILES for 7-(dimethylamino)-1-methylquinoline-2-thione is CN(C)c1ccc2ccc(=S)n(C)c2c1.
What is the InChIKey of 7-(dimethylamino)-1-methylquinoline-2-thione?
The InChIKey is CFHRKBURGUVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-13(2)10-6-4-9-5-7-12(15)14(3)11(9)8-10/h4-8H,1-3H3.
What are the key properties of 7-(dimethylamino)-1-methylquinoline-2-thione?
7-(dimethylamino)-1-methylquinoline-2-thione has a molecular weight of 218.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-1-methylquinoline-2-thione is sourced from PubChem (CID 23468241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).