3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine

C15H13BrN2S — CID 116783435

IUPAC3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1cccs1
InChIInChI=1S/C15H13BrN2S/c1-10(14-6-3-7-19-14)18-13-5-2-4-11-8-12(16)9-17-15(11)13/h2-10,18H,1H3
InChIKeyLBUFKINACCFVDI-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.23
Rot. Bonds3

About 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine

3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine (PubChem CID 116783435) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
PubChem CID116783435
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
SMILESCC(Nc1cccc2cc(Br)cnc12)c1cccs1
InChIInChI=1S/C15H13BrN2S/c1-10(14-6-3-7-19-14)18-13-5-2-4-11-8-12(16)9-17-15(11)13/h2-10,18H,1H3
InChIKeyLBUFKINACCFVDI-UHFFFAOYSA-N
XLogP5.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.25
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-pyridin-4-ylethyl)quinolin-8-amine
CID 116783273
3-bromo-N-(1-phenylethyl)quinolin-8-amine
CID 116783523
3-bromo-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-8-amine
CID 116783492
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
CID 61227691
5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
CID 62000750
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
3-bromo-N-(1-thiophen-2-ylethyl)pyridin-4-amine
CID 104776798
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine (CID 116783435) is 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine is CC(Nc1cccc2cc(Br)cnc12)c1cccs1.
What is the InChIKey of 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
The InChIKey is LBUFKINACCFVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-10(14-6-3-7-19-14)18-13-5-2-4-11-8-12(16)9-17-15(11)13/h2-10,18H,1H3.
What are the key properties of 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine?
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine has a molecular weight of 333.25 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine is sourced from PubChem (CID 116783435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).