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

C14H18N2OS — CID 112663552

IUPAC[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
SMILESCSCCN(C)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C14H18N2OS/c1-16(7-8-18-2)14-9-11(10-17)12-5-3-4-6-13(12)15-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeySLDSBMVHYDPOIO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.53
Rot. Bonds5

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

[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol (PubChem CID 112663552) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
PubChem CID112663552
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
SMILESCSCCN(C)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C14H18N2OS/c1-16(7-8-18-2)14-9-11(10-17)12-5-3-4-6-13(12)15-14/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeySLDSBMVHYDPOIO-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

[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
CID 63631449
4-(aminomethyl)-N-methyl-N-propylquinolin-2-amine
CID 62300858
[2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol
CID 61255834
[1-[methyl(2-methylsulfanylethyl)amino]isoquinolin-4-yl]methanol
CID 106768377
[2-[cyclopentyl(methyl)amino]quinolin-4-yl]methanol
CID 61255815
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol
CID 61442554
N'-[4-(chloromethyl)quinolin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701145
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine
CID 112667760
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylquinolin-2-amine
CID 62285875
4-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-2-amine
CID 63008304

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol?
The IUPAC name of [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol (CID 112663552) is [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol?
The canonical SMILES for [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol is CSCCN(C)c1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol?
The InChIKey is SLDSBMVHYDPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(7-8-18-2)14-9-11(10-17)12-5-3-4-6-13(12)15-14/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol?
[2-[methyl(2-methylsulfanylethyl)amino]quinolin-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 [2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol is sourced from PubChem (CID 112663552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).