1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine

C17H22N2S2 — CID 79961105

IUPAC1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
SMILESCCNC(Cc1ccnc2ccccc12)C1CSCCS1
InChIInChI=1S/C17H22N2S2/c1-2-18-16(17-12-20-9-10-21-17)11-13-7-8-19-15-6-4-3-5-14(13)15/h3-8,16-18H,2,9-12H2,1H3
InChIKeyUXFMYZVKGPBYCT-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.60
Rot. Bonds5

About 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine

1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine (PubChem CID 79961105) has the molecular formula C17H22N2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
PubChem CID79961105
Molecular FormulaC17H22N2S2
Molecular Weight318.51 g/mol
Exact Mass318.12
IUPAC Name1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
SMILESCCNC(Cc1ccnc2ccccc12)C1CSCCS1
InChIInChI=1S/C17H22N2S2/c1-2-18-16(17-12-20-9-10-21-17)11-13-7-8-19-15-6-4-3-5-14(13)15/h3-8,16-18H,2,9-12H2,1H3
InChIKeyUXFMYZVKGPBYCT-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
CID 80622972
2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965548
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 79965549
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589
2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965359
N-ethyl-3,4-dimethyl-1-quinolin-4-ylpentan-2-amine
CID 104997465
N-ethyl-1-(1-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 104997457
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965642
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79961112
4-(2-ethylbutyl)quinoline
CID 143495355
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine (CID 79961105) is 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine is CCNC(Cc1ccnc2ccccc12)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine?
The InChIKey is UXFMYZVKGPBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S2/c1-2-18-16(17-12-20-9-10-21-17)11-13-7-8-19-15-6-4-3-5-14(13)15/h3-8,16-18H,2,9-12H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine?
1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine has a molecular weight of 318.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine is sourced from PubChem (CID 79961105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).