N,N-dimethyl-4-quinolin-8-ylsulfanylaniline

C17H16N2S — CID 177461808

IUPACN,N-dimethyl-4-quinolin-8-ylsulfanylaniline
SMILESCN(C)c1ccc(Sc2cccc3cccnc23)cc1
InChIInChI=1S/C17H16N2S/c1-19(2)14-8-10-15(11-9-14)20-16-7-3-5-13-6-4-12-18-17(13)16/h3-12H,1-2H3
InChIKeyFMESRVYQQMQCSB-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.45
Rot. Bonds3

About N,N-dimethyl-4-quinolin-8-ylsulfanylaniline

N,N-dimethyl-4-quinolin-8-ylsulfanylaniline (PubChem CID 177461808) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N,N-dimethyl-4-quinolin-8-ylsulfanylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-quinolin-8-ylsulfanylaniline
PubChem CID177461808
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN,N-dimethyl-4-quinolin-8-ylsulfanylaniline
SMILESCN(C)c1ccc(Sc2cccc3cccnc23)cc1
InChIInChI=1S/C17H16N2S/c1-19(2)14-8-10-15(11-9-14)20-16-7-3-5-13-6-4-12-18-17(13)16/h3-12H,1-2H3
InChIKeyFMESRVYQQMQCSB-UHFFFAOYSA-N
XLogP4.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
[3-(dimethylamino)phenyl]-quinolin-8-ylmethanol
CID 105118763
3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one
CID 162501176
bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
CID 71715003
3-chloro-4-quinolin-8-ylsulfanylaniline
CID 68885824
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
N,N-dimethylaniline;quinoline
CID 70437285
8-sulfosulfanylquinoline
CID 175491006
2-quinolin-8-ylsulfanylacetonitrile
CID 2143520
N-methyl-N-quinolin-8-yloxysulfanylmethanamine
CID 142037871
4-[4-[3-[4-[4-(dimethylamino)phenyl]buta-1,3-diynyl]pyrazino[2,3-f][1,10]phenanthrolin-2-yl]buta-1,3-diynyl]-N,N-dimethylaniline
CID 12034142

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-quinolin-8-ylsulfanylaniline?
The IUPAC name of N,N-dimethyl-4-quinolin-8-ylsulfanylaniline (CID 177461808) is N,N-dimethyl-4-quinolin-8-ylsulfanylaniline.
What is the SMILES notation for N,N-dimethyl-4-quinolin-8-ylsulfanylaniline?
The canonical SMILES for N,N-dimethyl-4-quinolin-8-ylsulfanylaniline is CN(C)c1ccc(Sc2cccc3cccnc23)cc1.
What is the InChIKey of N,N-dimethyl-4-quinolin-8-ylsulfanylaniline?
The InChIKey is FMESRVYQQMQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-19(2)14-8-10-15(11-9-14)20-16-7-3-5-13-6-4-12-18-17(13)16/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-4-quinolin-8-ylsulfanylaniline?
N,N-dimethyl-4-quinolin-8-ylsulfanylaniline has a molecular weight of 280.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-quinolin-8-ylsulfanylaniline is sourced from PubChem (CID 177461808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).