4-methyl-6-methylsulfanylquinolin-8-amine

C11H12N2S — CID 609298

IUPAC4-methyl-6-methylsulfanylquinolin-8-amine
SMILESCSc1cc(N)c2nccc(C)c2c1
InChIInChI=1S/C11H12N2S/c1-7-3-4-13-11-9(7)5-8(14-2)6-10(11)12/h3-6H,12H2,1-2H3
InChIKeyYZRVYXHTDBTOFW-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.85
Rot. Bonds1

About 4-methyl-6-methylsulfanylquinolin-8-amine

4-methyl-6-methylsulfanylquinolin-8-amine (PubChem CID 609298) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanylquinolin-8-amine.

Molecular Properties

Compound Name4-methyl-6-methylsulfanylquinolin-8-amine
PubChem CID609298
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-methyl-6-methylsulfanylquinolin-8-amine
SMILESCSc1cc(N)c2nccc(C)c2c1
InChIInChI=1S/C11H12N2S/c1-7-3-4-13-11-9(7)5-8(14-2)6-10(11)12/h3-6H,12H2,1-2H3
InChIKeyYZRVYXHTDBTOFW-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanylquinolin-8-amine?
The IUPAC name of 4-methyl-6-methylsulfanylquinolin-8-amine (CID 609298) is 4-methyl-6-methylsulfanylquinolin-8-amine.
What is the SMILES notation for 4-methyl-6-methylsulfanylquinolin-8-amine?
The canonical SMILES for 4-methyl-6-methylsulfanylquinolin-8-amine is CSc1cc(N)c2nccc(C)c2c1.
What is the InChIKey of 4-methyl-6-methylsulfanylquinolin-8-amine?
The InChIKey is YZRVYXHTDBTOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-3-4-13-11-9(7)5-8(14-2)6-10(11)12/h3-6H,12H2,1-2H3.
What are the key properties of 4-methyl-6-methylsulfanylquinolin-8-amine?
4-methyl-6-methylsulfanylquinolin-8-amine has a molecular weight of 204.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanylquinolin-8-amine is sourced from PubChem (CID 609298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).