2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol

C17H15ClN2OS — CID 123566796

IUPAC2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol
SMILESCSc1ccc2nccc(Nc3ccc(C)c(O)c3Cl)c2c1
InChIInChI=1S/C17H15ClN2OS/c1-10-3-5-15(16(18)17(10)21)20-14-7-8-19-13-6-4-11(22-2)9-12(13)14/h3-9,21H,1-2H3,(H,19,20)
InChIKeyNTAUSBVWELWVHC-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.37
Rot. Bonds3

About 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol

2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol (PubChem CID 123566796) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol
PubChem CID123566796
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol
SMILESCSc1ccc2nccc(Nc3ccc(C)c(O)c3Cl)c2c1
InChIInChI=1S/C17H15ClN2OS/c1-10-3-5-15(16(18)17(10)21)20-14-7-8-19-13-6-4-11(22-2)9-12(13)14/h3-9,21H,1-2H3,(H,19,20)
InChIKeyNTAUSBVWELWVHC-UHFFFAOYSA-N
XLogP5.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
CID 123394098
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
3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
CID 165123425
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
(4-bromo-2-methylphenyl)-(6-methylsulfanylquinolin-4-yl)methanone
CID 178032412
ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
CID 58170411
N-(4-chlorophenyl)-6-ethylquinolin-4-amine
CID 53264796
6-chloro-N-methylquinolin-4-amine
CID 62192062
4-methyl-3-[(2-methylthieno[2,3-g]quinolin-8-yl)amino]phenol
CID 174218840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol?
The IUPAC name of 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol (CID 123566796) is 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol?
The canonical SMILES for 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol is CSc1ccc2nccc(Nc3ccc(C)c(O)c3Cl)c2c1.
What is the InChIKey of 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol?
The InChIKey is NTAUSBVWELWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-10-3-5-15(16(18)17(10)21)20-14-7-8-19-13-6-4-11(22-2)9-12(13)14/h3-9,21H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol?
2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol has a molecular weight of 330.84 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 123566796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).