[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine

C17H16N2OS — CID 63647372

IUPAC[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
SMILESCSc1ccc(Oc2cc(CN)c3ccccc3n2)cc1
InChIInChI=1S/C17H16N2OS/c1-21-14-8-6-13(7-9-14)20-17-10-12(11-18)15-4-2-3-5-16(15)19-17/h2-10H,11,18H2,1H3
InChIKeyATIVZLNPDGOJFI-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.21
Rot. Bonds4

About [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine

[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine (PubChem CID 63647372) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
PubChem CID63647372
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
SMILESCSc1ccc(Oc2cc(CN)c3ccccc3n2)cc1
InChIInChI=1S/C17H16N2OS/c1-21-14-8-6-13(7-9-14)20-17-10-12(11-18)15-4-2-3-5-16(15)19-17/h2-10H,11,18H2,1H3
InChIKeyATIVZLNPDGOJFI-UHFFFAOYSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine
CID 63648716
[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62296104
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179
4-(chloromethyl)-2-(4-methylphenoxy)quinoline
CID 63446185
1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62297834
(2-but-2-enoxyquinolin-4-yl)methanamine
CID 76938383
2-phenoxyquinolin-4-amine
CID 158312324
[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
CID 63648216
4-(4-methylsulfanylphenoxy)quinolin-3-amine
CID 103963721
[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine
CID 64729365
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
[2-[2-(2-methylpropoxy)ethoxy]quinolin-4-yl]methanamine
CID 106446681

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine?
The IUPAC name of [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine (CID 63647372) is [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine.
What is the SMILES notation for [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine?
The canonical SMILES for [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine is CSc1ccc(Oc2cc(CN)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine?
The InChIKey is ATIVZLNPDGOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-21-14-8-6-13(7-9-14)20-17-10-12(11-18)15-4-2-3-5-16(15)19-17/h2-10H,11,18H2,1H3.
What are the key properties of [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine?
[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine has a molecular weight of 296.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine is sourced from PubChem (CID 63647372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).