[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine

C17H16N2OS — CID 63648716

IUPAC[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine
SMILESCSc1ccc(Oc2nc3ccccc3cc2CN)cc1
InChIInChI=1S/C17H16N2OS/c1-21-15-8-6-14(7-9-15)20-17-13(11-18)10-12-4-2-3-5-16(12)19-17/h2-10H,11,18H2,1H3
InChIKeyCNRVZVWSKOPDGK-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.21
Rot. Bonds4

About [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine

[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine (PubChem CID 63648716) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine
PubChem CID63648716
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine
SMILESCSc1ccc(Oc2nc3ccccc3cc2CN)cc1
InChIInChI=1S/C17H16N2OS/c1-21-15-8-6-14(7-9-15)20-17-13(11-18)10-12-4-2-3-5-16(12)19-17/h2-10H,11,18H2,1H3
InChIKeyCNRVZVWSKOPDGK-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-fluorophenoxy)quinolin-3-yl]methanamine
CID 28966185
[2-[(6-methyl-3-pyridinyl)oxy]quinolin-3-yl]methanamine
CID 62073251
[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
CID 63647372
[2-(3-iodophenoxy)quinolin-3-yl]methanamine
CID 43327394
[2-(2,4-difluorophenoxy)quinolin-3-yl]methanamine
CID 28965955
2-[2-(4-chlorophenoxy)quinolin-3-yl]ethanamine
CID 63804294
[2-(2-fluoro-5-methylphenoxy)quinolin-3-yl]methanamine
CID 64854395
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
[2-(2-bromo-4-fluorophenoxy)quinolin-3-yl]methanamine
CID 28965989
1-[2-(4-fluorophenoxy)quinolin-3-yl]-N-methylmethanamine
CID 43283154
[4-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 61229145
(2-chloroquinolin-3-yl)methanamine
CID 71748539

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine?
The IUPAC name of [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine (CID 63648716) is [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine.
What is the SMILES notation for [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine?
The canonical SMILES for [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine is CSc1ccc(Oc2nc3ccccc3cc2CN)cc1.
What is the InChIKey of [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine?
The InChIKey is CNRVZVWSKOPDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-21-15-8-6-14(7-9-15)20-17-13(11-18)10-12-4-2-3-5-16(12)19-17/h2-10H,11,18H2,1H3.
What are the key properties of [2-(4-methylsulfanylphenoxy)quinolin-3-yl]methanamine?
[2-(4-methylsulfanylphenoxy)quinolin-3-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-3-yl]methanamine is sourced from PubChem (CID 63648716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).