8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline

C14H15N3O — CID 54909301

IUPAC8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCc3cnccn3)c1)NCCC2
InChIInChI=1S/C14H15N3O/c1-3-11-4-2-6-17-14(11)13(5-1)18-10-12-9-15-7-8-16-12/h1,3,5,7-9,17H,2,4,6,10H2
InChIKeyVGEBGGOZLVWNPD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.41
Rot. Bonds3

About 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline

8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 54909301) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID54909301
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCc3cnccn3)c1)NCCC2
InChIInChI=1S/C14H15N3O/c1-3-11-4-2-6-17-14(11)13(5-1)18-10-12-9-15-7-8-16-12/h1,3,5,7-9,17H,2,4,6,10H2
InChIKeyVGEBGGOZLVWNPD-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline (CID 54909301) is 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(OCc3cnccn3)c1)NCCC2.
What is the InChIKey of 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VGEBGGOZLVWNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-11-4-2-6-17-14(11)13(5-1)18-10-12-9-15-7-8-16-12/h1,3,5,7-9,17H,2,4,6,10H2.
What are the key properties of 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 54909301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).