N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine

C17H22N2S — CID 80622972

IUPACN-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1ccnc2ccccc12)C1CCCS1
InChIInChI=1S/C17H22N2S/c1-2-18-16(17-8-5-11-20-17)12-13-9-10-19-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,16-18H,2,5,8,11-12H2,1H3
InChIKeyDZESIICBYUOBMY-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine

N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine (PubChem CID 80622972) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
PubChem CID80622972
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1ccnc2ccccc12)C1CCCS1
InChIInChI=1S/C17H22N2S/c1-2-18-16(17-8-5-11-20-17)12-13-9-10-19-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,16-18H,2,5,8,11-12H2,1H3
InChIKeyDZESIICBYUOBMY-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
CID 79961105
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
CID 80626898
N-ethyl-1-(1-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 104997457
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589
N-ethyl-3,4-dimethyl-1-quinolin-4-ylpentan-2-amine
CID 104997465
N-methyl-1-(2-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 107189504
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80622626

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine (CID 80622972) is N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine is CCNC(Cc1ccnc2ccccc12)C1CCCS1.
What is the InChIKey of N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine?
The InChIKey is DZESIICBYUOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-18-16(17-8-5-11-20-17)12-13-9-10-19-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,16-18H,2,5,8,11-12H2,1H3.
What are the key properties of N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine?
N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine has a molecular weight of 286.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).