N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C16H18N4O2 — CID 90641029

IUPACN-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)NCc1cnccn1
InChIInChI=1S/C16H18N4O2/c21-16(20-10-12-9-17-7-8-18-12)11-22-15-5-6-19-14-4-2-1-3-13(14)15/h5-9H,1-4,10-11H2,(H,20,21)
InChIKeyJOQCLQLCLLHMJG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.45
Rot. Bonds5

About N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90641029) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90641029
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)NCc1cnccn1
InChIInChI=1S/C16H18N4O2/c21-16(20-10-12-9-17-7-8-18-12)11-22-15-5-6-19-14-4-2-1-3-13(14)15/h5-9H,1-4,10-11H2,(H,20,21)
InChIKeyJOQCLQLCLLHMJG-UHFFFAOYSA-N
XLogP1.45
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90641029) is N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is O=C(COc1ccnc2c1CCCC2)NCc1cnccn1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is JOQCLQLCLLHMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(20-10-12-9-17-7-8-18-12)11-22-15-5-6-19-14-4-2-1-3-13(14)15/h5-9H,1-4,10-11H2,(H,20,21).
What are the key properties of N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90641029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).