4-(4-methylsulfanylphenoxy)quinolin-3-amine

C16H14N2OS — CID 103963721

IUPAC4-(4-methylsulfanylphenoxy)quinolin-3-amine
SMILESCSc1ccc(Oc2c(N)cnc3ccccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-20-12-8-6-11(7-9-12)19-16-13-4-2-3-5-15(13)18-10-14(16)17/h2-10H,17H2,1H3
InChIKeyLKOXTGHOUYEGAZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.33
Rot. Bonds3

About 4-(4-methylsulfanylphenoxy)quinolin-3-amine

4-(4-methylsulfanylphenoxy)quinolin-3-amine (PubChem CID 103963721) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenoxy)quinolin-3-amine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenoxy)quinolin-3-amine
PubChem CID103963721
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-(4-methylsulfanylphenoxy)quinolin-3-amine
SMILESCSc1ccc(Oc2c(N)cnc3ccccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-20-12-8-6-11(7-9-12)19-16-13-4-2-3-5-15(13)18-10-14(16)17/h2-10H,17H2,1H3
InChIKeyLKOXTGHOUYEGAZ-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

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Related Compounds

4-(4-bromo-3-methylphenoxy)quinolin-3-amine
CID 103963762
4-[3-(methoxymethyl)phenoxy]quinolin-3-amine
CID 103963726
4-(3-methylbutan-2-yloxy)quinolin-3-amine
CID 113359457
6-bromo-4-phenoxyquinolin-3-amine
CID 43621409
[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
CID 63647372
4-(4-bromo-2-methylphenoxy)quinolin-3-amine
CID 103963717
4-(2,5-dichlorophenoxy)quinolin-3-amine
CID 103963597
4-N-(2-methylsulfanylphenyl)quinoline-3,4-diamine
CID 107643533
4-(3-nitroquinolin-4-yl)oxyaniline
CID 103964824
2-(3-aminoquinolin-4-yl)oxybenzamide
CID 103963644
4-(2-butoxyethoxy)quinolin-3-amine
CID 103963666
3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenoxy)quinolin-3-amine?
The IUPAC name of 4-(4-methylsulfanylphenoxy)quinolin-3-amine (CID 103963721) is 4-(4-methylsulfanylphenoxy)quinolin-3-amine.
What is the SMILES notation for 4-(4-methylsulfanylphenoxy)quinolin-3-amine?
The canonical SMILES for 4-(4-methylsulfanylphenoxy)quinolin-3-amine is CSc1ccc(Oc2c(N)cnc3ccccc23)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenoxy)quinolin-3-amine?
The InChIKey is LKOXTGHOUYEGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-20-12-8-6-11(7-9-12)19-16-13-4-2-3-5-15(13)18-10-14(16)17/h2-10H,17H2,1H3.
What are the key properties of 4-(4-methylsulfanylphenoxy)quinolin-3-amine?
4-(4-methylsulfanylphenoxy)quinolin-3-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-3-amine is sourced from PubChem (CID 103963721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).