2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide

C16H14N2O2S — CID 2094807

IUPAC2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cccc2cccnc12)NCc1cccs1
InChIInChI=1S/C16H14N2O2S/c19-15(18-10-13-6-3-9-21-13)11-20-14-7-1-4-12-5-2-8-17-16(12)14/h1-9H,10-11H2,(H,18,19)
InChIKeyMFFXWQPBYWIXGB-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.99
Rot. Bonds5

About 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide

2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2094807) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2094807
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cccc2cccnc12)NCc1cccs1
InChIInChI=1S/C16H14N2O2S/c19-15(18-10-13-6-3-9-21-13)11-20-14-7-1-4-12-5-2-8-17-16(12)14/h1-9H,10-11H2,(H,18,19)
InChIKeyMFFXWQPBYWIXGB-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide (CID 2094807) is 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1cccc2cccnc12)NCc1cccs1.
What is the InChIKey of 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MFFXWQPBYWIXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(18-10-13-6-3-9-21-13)11-20-14-7-1-4-12-5-2-8-17-16(12)14/h1-9H,10-11H2,(H,18,19).
What are the key properties of 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide?
2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2094807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).