[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol

C14H18N2OS — CID 106768377

IUPAC[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
SMILESCSCCN(C)c1ncc(CO)c2ccccc12
InChIInChI=1S/C14H18N2OS/c1-16(7-8-18-2)14-13-6-4-3-5-12(13)11(10-17)9-15-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyVISIAEJSZBGQAZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.53
Rot. Bonds5

About [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol

[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol (PubChem CID 106768377) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
PubChem CID106768377
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
SMILESCSCCN(C)c1ncc(CO)c2ccccc12
InChIInChI=1S/C14H18N2OS/c1-16(7-8-18-2)14-13-6-4-3-5-12(13)11(10-17)9-15-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyVISIAEJSZBGQAZ-UHFFFAOYSA-N
XLogP2.53
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
CID 106768318
[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
CID 106767996
[1-[ethyl(propyl)amino]isoquinolin-4-yl]methanol
CID 106767974
[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
CID 112663552
[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]isoquinolin-4-yl]methanol
CID 106768222
N'-[4-(aminomethyl)isoquinolin-1-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106776207
4-(aminomethyl)-N-butyl-N-methylisoquinolin-1-amine
CID 106774819
2-[butyl-[4-(hydroxymethyl)isoquinolin-1-yl]amino]ethanol
CID 106768099
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
[1-[butyl(cyclopropyl)amino]isoquinolin-4-yl]methanol
CID 106768094
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
4-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylisoquinolin-1-amine
CID 106775794

Frequently Asked Questions

What is the IUPAC name of [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol?
The IUPAC name of [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol (CID 106768377) is [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol?
The canonical SMILES for [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol is CSCCN(C)c1ncc(CO)c2ccccc12.
What is the InChIKey of [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol?
The InChIKey is VISIAEJSZBGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(7-8-18-2)14-13-6-4-3-5-12(13)11(10-17)9-15-14/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol?
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).