2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine

C17H12N2S2 — CID 44523429

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine
SMILESNc1cc(-c2ccc(-c3cccs3)s2)nc2ccccc12
InChIInChI=1S/C17H12N2S2/c18-12-10-14(19-13-5-2-1-4-11(12)13)15-7-8-17(21-15)16-6-3-9-20-16/h1-10H,(H2,18,19)
InChIKeyVTDHKBIFMCSJIX-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.27
Rot. Bonds2

About 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine

2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine (PubChem CID 44523429) has the molecular formula C17H12N2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine
PubChem CID44523429
Molecular FormulaC17H12N2S2
Molecular Weight308.43 g/mol
Exact Mass308.04
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine
SMILESNc1cc(-c2ccc(-c3cccs3)s2)nc2ccccc12
InChIInChI=1S/C17H12N2S2/c18-12-10-14(19-13-5-2-1-4-11(12)13)15-7-8-17(21-15)16-6-3-9-20-16/h1-10H,(H2,18,19)
InChIKeyVTDHKBIFMCSJIX-UHFFFAOYSA-N
XLogP5.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine (CID 44523429) is 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine is Nc1cc(-c2ccc(-c3cccs3)s2)nc2ccccc12.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine?
The InChIKey is VTDHKBIFMCSJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S2/c18-12-10-14(19-13-5-2-1-4-11(12)13)15-7-8-17(21-15)16-6-3-9-20-16/h1-10H,(H2,18,19).
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine?
2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine has a molecular weight of 308.43 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)quinolin-4-amine is sourced from PubChem (CID 44523429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).