2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine

C17H18N2S — CID 81428422

IUPAC2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
SMILESc1csc(CCNCCc2cccc3cccnc23)c1
InChIInChI=1S/C17H18N2S/c1-4-14-6-2-10-19-17(14)15(5-1)8-11-18-12-9-16-7-3-13-20-16/h1-7,10,13,18H,8-9,11-12H2
InChIKeyAZGWKWJVYNTOGZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.67
Rot. Bonds6

About 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine

2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine (PubChem CID 81428422) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
PubChem CID81428422
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
SMILESc1csc(CCNCCc2cccc3cccnc23)c1
InChIInChI=1S/C17H18N2S/c1-4-14-6-2-10-19-17(14)15(5-1)8-11-18-12-9-16-7-3-13-20-16/h1-7,10,13,18H,8-9,11-12H2
InChIKeyAZGWKWJVYNTOGZ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 78870691
1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350257
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111673037
N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide
CID 81426159
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
N-(2-pyrimidin-2-ylsulfanylethyl)-2-thiophen-2-ylethanamine
CID 62578414
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine (CID 81428422) is 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine is c1csc(CCNCCc2cccc3cccnc23)c1.
What is the InChIKey of 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine?
The InChIKey is AZGWKWJVYNTOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-4-14-6-2-10-19-17(14)15(5-1)8-11-18-12-9-16-7-3-13-20-16/h1-7,10,13,18H,8-9,11-12H2.
What are the key properties of 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine?
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine has a molecular weight of 282.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 81428422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).