1-quinolin-8-yl-2-thiophen-2-ylethanamine

C15H14N2S — CID 81231172

IUPAC1-quinolin-8-yl-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1cccc2cccnc12
InChIInChI=1S/C15H14N2S/c16-14(10-12-6-3-9-18-12)13-7-1-4-11-5-2-8-17-15(11)13/h1-9,14H,10,16H2
InChIKeyFFQSIGAZEZAIBQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.54
Rot. Bonds3

About 1-quinolin-8-yl-2-thiophen-2-ylethanamine

1-quinolin-8-yl-2-thiophen-2-ylethanamine (PubChem CID 81231172) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-quinolin-8-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-quinolin-8-yl-2-thiophen-2-ylethanamine
PubChem CID81231172
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name1-quinolin-8-yl-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1cccc2cccnc12
InChIInChI=1S/C15H14N2S/c16-14(10-12-6-3-9-18-12)13-7-1-4-11-5-2-8-17-15(11)13/h1-9,14H,10,16H2
InChIKeyFFQSIGAZEZAIBQ-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
1-quinolin-8-ylbutan-1-amine
CID 79016206
1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
2-(2-bromo-3-fluorophenyl)-1-quinolin-8-ylethanamine
CID 105172118
1-quinolin-8-ylhexan-1-amine
CID 105021327
1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79217934
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
2-(4-chlorophenoxy)-1-quinolin-8-ylethanamine
CID 105172449
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-yl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-quinolin-8-yl-2-thiophen-2-ylethanamine (CID 81231172) is 1-quinolin-8-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-quinolin-8-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-quinolin-8-yl-2-thiophen-2-ylethanamine is NC(Cc1cccs1)c1cccc2cccnc12.
What is the InChIKey of 1-quinolin-8-yl-2-thiophen-2-ylethanamine?
The InChIKey is FFQSIGAZEZAIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c16-14(10-12-6-3-9-18-12)13-7-1-4-11-5-2-8-17-15(11)13/h1-9,14H,10,16H2.
What are the key properties of 1-quinolin-8-yl-2-thiophen-2-ylethanamine?
1-quinolin-8-yl-2-thiophen-2-ylethanamine has a molecular weight of 254.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 81231172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).