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

C16H12Cl2N2S — CID 123150888

IUPACN-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
SMILESCSc1ccc2nccc(Nc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C16H12Cl2N2S/c1-21-11-3-5-14-12(9-11)15(6-7-19-14)20-16-4-2-10(17)8-13(16)18/h2-9H,1H3,(H,19,20)
InChIKeyHLFCCGZBZPCODB-UHFFFAOYSA-N
MW335.26 g/mol
LogP6.01
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine (PubChem CID 123150888) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
PubChem CID123150888
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC NameN-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
SMILESCSc1ccc2nccc(Nc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C16H12Cl2N2S/c1-21-11-3-5-14-12(9-11)15(6-7-19-14)20-16-4-2-10(17)8-13(16)18/h2-9H,1H3,(H,19,20)
InChIKeyHLFCCGZBZPCODB-UHFFFAOYSA-N
XLogP6.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 56.01
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-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
CID 123394098
[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
CID 123769637
6-chloro-N-methylquinolin-4-amine
CID 62192062
2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
CID 123640508
N-(4-chlorophenyl)-6-ethylquinolin-4-amine
CID 53264796
6-chloro-N-[2-(trifluoromethyl)phenyl]quinolin-4-amine
CID 17016624
N-(4-chlorophenyl)-6-methylsulfinylquinolin-4-amine
CID 118352001
N-(2-chloro-4-fluorophenyl)-7-iodoquinolin-4-amine
CID 44532440
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093
4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile
CID 135673964
N-(4-chloro-2,5-dimethoxyphenyl)-6,7-dimethoxyquinolin-4-amine
CID 53264749

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine (CID 123150888) is N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine is CSc1ccc2nccc(Nc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine?
The InChIKey is HLFCCGZBZPCODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c1-21-11-3-5-14-12(9-11)15(6-7-19-14)20-16-4-2-10(17)8-13(16)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine?
N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine has a molecular weight of 335.26 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine is sourced from PubChem (CID 123150888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).