(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine

C17H16N2S — CID 105021362

IUPAC(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
SMILESCSc1ccccc1C(N)c1cccc2cccnc12
InChIInChI=1S/C17H16N2S/c1-20-15-10-3-2-8-13(15)16(18)14-9-4-6-12-7-5-11-19-17(12)14/h2-11,16H,18H2,1H3
InChIKeyRQLBKFIPCUTIHW-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.00
Rot. Bonds3

About (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine

(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine (PubChem CID 105021362) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
PubChem CID105021362
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
SMILESCSc1ccccc1C(N)c1cccc2cccnc12
InChIInChI=1S/C17H16N2S/c1-20-15-10-3-2-8-13(15)16(18)14-9-4-6-12-7-5-11-19-17(12)14/h2-11,16H,18H2,1H3
InChIKeyRQLBKFIPCUTIHW-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
CID 106648293
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
1-quinolin-8-ylbutan-1-amine
CID 79016206
(6-methoxypyridazin-3-yl)-quinolin-8-ylmethanamine
CID 103373778
quinolin-8-yl(thiophen-3-yl)methanamine
CID 81220765
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine?
The IUPAC name of (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine (CID 105021362) is (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine.
What is the SMILES notation for (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine?
The canonical SMILES for (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine is CSc1ccccc1C(N)c1cccc2cccnc12.
What is the InChIKey of (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine?
The InChIKey is RQLBKFIPCUTIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-20-15-10-3-2-8-13(15)16(18)14-9-4-6-12-7-5-11-19-17(12)14/h2-11,16H,18H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine?
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine has a molecular weight of 280.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-quinolin-8-ylmethanamine is sourced from PubChem (CID 105021362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).