[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol

C18H18N2OS — CID 123769637

IUPAC[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
SMILESCSc1ccc2nccc(Nc3cc(CO)ccc3C)c2c1
InChIInChI=1S/C18H18N2OS/c1-12-3-4-13(11-21)9-18(12)20-17-7-8-19-16-6-5-14(22-2)10-15(16)17/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyGDHMJOHUZBOBLX-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.50
Rot. Bonds4

About [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol

[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol (PubChem CID 123769637) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
PubChem CID123769637
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol
SMILESCSc1ccc2nccc(Nc3cc(CO)ccc3C)c2c1
InChIInChI=1S/C18H18N2OS/c1-12-3-4-13(11-21)9-18(12)20-17-7-8-19-16-6-5-14(22-2)10-15(16)17/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyGDHMJOHUZBOBLX-UHFFFAOYSA-N
XLogP4.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
CID 123150888
3-[(6-dimethylphosphanylquinolin-4-yl)amino]-4-methylphenol
CID 165123425
2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
CID 123640508
N-[5-(aminomethyl)-2-methylphenyl]-2-methylthieno[2,3-g]quinolin-8-amine
CID 156805033
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate
CID 58170411
N-[5-(aminomethyl)-2-methylphenyl]-2-methyl-1,1-dioxothieno[2,3-g]quinolin-8-amine
CID 156566120
ethanol;ethyl 4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylate;4-(5-hydroxy-2-methylanilino)quinoline-6-carboxylic acid
CID 162050100
N-(4-chlorophenyl)-6-ethylquinolin-4-amine
CID 53264796
4-(5-hydroxy-2-methylanilino)-N-(2-methylsulfonylethyl)quinoline-6-carboxamide
CID 54672856

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol?
The IUPAC name of [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol (CID 123769637) is [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol is CSc1ccc2nccc(Nc3cc(CO)ccc3C)c2c1.
What is the InChIKey of [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol?
The InChIKey is GDHMJOHUZBOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-3-4-13(11-21)9-18(12)20-17-7-8-19-16-6-5-14(22-2)10-15(16)17/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol?
[4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol has a molecular weight of 310.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[(6-methylsulfanylquinolin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 123769637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).