4-(4-methylsulfanylphenoxy)quinolin-8-amine

C16H14N2OS — CID 83060179

IUPAC4-(4-methylsulfanylphenoxy)quinolin-8-amine
SMILESCSc1ccc(Oc2ccnc3c(N)cccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-20-12-7-5-11(6-8-12)19-15-9-10-18-16-13(15)3-2-4-14(16)17/h2-10H,17H2,1H3
InChIKeyYUWVLHOAZZREAZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.33
Rot. Bonds3

About 4-(4-methylsulfanylphenoxy)quinolin-8-amine

4-(4-methylsulfanylphenoxy)quinolin-8-amine (PubChem CID 83060179) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenoxy)quinolin-8-amine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenoxy)quinolin-8-amine
PubChem CID83060179
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-(4-methylsulfanylphenoxy)quinolin-8-amine
SMILESCSc1ccc(Oc2ccnc3c(N)cccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-20-12-7-5-11(6-8-12)19-15-9-10-18-16-13(15)3-2-4-14(16)17/h2-10H,17H2,1H3
InChIKeyYUWVLHOAZZREAZ-UHFFFAOYSA-N
XLogP4.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methylsulfanylphenoxy)quinolin-8-amine?
The IUPAC name of 4-(4-methylsulfanylphenoxy)quinolin-8-amine (CID 83060179) is 4-(4-methylsulfanylphenoxy)quinolin-8-amine.
What is the SMILES notation for 4-(4-methylsulfanylphenoxy)quinolin-8-amine?
The canonical SMILES for 4-(4-methylsulfanylphenoxy)quinolin-8-amine is CSc1ccc(Oc2ccnc3c(N)cccc23)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenoxy)quinolin-8-amine?
The InChIKey is YUWVLHOAZZREAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-20-12-7-5-11(6-8-12)19-15-9-10-18-16-13(15)3-2-4-14(16)17/h2-10H,17H2,1H3.
What are the key properties of 4-(4-methylsulfanylphenoxy)quinolin-8-amine?
4-(4-methylsulfanylphenoxy)quinolin-8-amine has a molecular weight of 282.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenoxy)quinolin-8-amine is sourced from PubChem (CID 83060179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).