N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine

C16H22N2OS — CID 63857806

IUPACN-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2nc1SCCCOC
InChIInChI=1S/C16H22N2OS/c1-3-17-12-14-11-13-7-4-5-8-15(13)18-16(14)20-10-6-9-19-2/h4-5,7-8,11,17H,3,6,9-10,12H2,1-2H3
InChIKeyGZHIQZOUPJZNRP-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.47
Rot. Bonds8

About N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine

N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine (PubChem CID 63857806) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine
PubChem CID63857806
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine
SMILESCCNCc1cc2ccccc2nc1SCCCOC
InChIInChI=1S/C16H22N2OS/c1-3-17-12-14-11-13-7-4-5-8-15(13)18-16(14)20-10-6-9-19-2/h4-5,7-8,11,17H,3,6,9-10,12H2,1-2H3
InChIKeyGZHIQZOUPJZNRP-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
CID 63809105
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821
2-methoxy-N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]ethanamine
CID 63809207
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102998
N-[(2-cyclohexylsulfanylquinolin-3-yl)methyl]ethanamine
CID 63809642
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352
N-methyl-1-[2-(2-methylsulfonylethylsulfanyl)quinolin-3-yl]methanamine
CID 63804478
N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
CID 62195600
N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62190013

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine (CID 63857806) is N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine is CCNCc1cc2ccccc2nc1SCCCOC.
What is the InChIKey of N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
The InChIKey is GZHIQZOUPJZNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-17-12-14-11-13-7-4-5-8-15(13)18-16(14)20-10-6-9-19-2/h4-5,7-8,11,17H,3,6,9-10,12H2,1-2H3.
What are the key properties of N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine?
N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropylsulfanyl)quinolin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63857806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).