N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine

C18H18N2S — CID 123394098

IUPACN-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
SMILESCSc1ccc2nccc(Nc3ccc(C)cc3C)c2c1
InChIInChI=1S/C18H18N2S/c1-12-4-6-16(13(2)10-12)20-18-8-9-19-17-7-5-14(21-3)11-15(17)18/h4-11H,1-3H3,(H,19,20)
InChIKeyNBNJEAZBMYNRQA-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.32
Rot. Bonds3

About N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine

N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine (PubChem CID 123394098) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
PubChem CID123394098
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
SMILESCSc1ccc2nccc(Nc3ccc(C)cc3C)c2c1
InChIInChI=1S/C18H18N2S/c1-12-4-6-16(13(2)10-12)20-18-8-9-19-17-7-5-14(21-3)11-15(17)18/h4-11H,1-3H3,(H,19,20)
InChIKeyNBNJEAZBMYNRQA-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol
CID 123566796
N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
CID 123150888
[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
CID 123769637
2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
CID 123640508
N-(2,4-dimethylphenyl)-8-fluoroquinolin-4-amine
CID 43832975
N-(4-ethenylphenyl)-6-methylquinolin-4-amine
CID 157044190
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
CID 10712923
N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
CID 43833157
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
3-N-(2,4-dimethylphenyl)-4-methylpyridine-2,3-diamine
CID 70397707
3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
CID 165123425

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine (CID 123394098) is N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine is CSc1ccc2nccc(Nc3ccc(C)cc3C)c2c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine?
The InChIKey is NBNJEAZBMYNRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-4-6-16(13(2)10-12)20-18-8-9-19-17-7-5-14(21-3)11-15(17)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine?
N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine has a molecular weight of 294.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine is sourced from PubChem (CID 123394098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).