1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine

C17H22N4 — CID 67446912

IUPAC1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine
SMILESc1cnc2c(CN3CCCN4CCNCC43)cccc2c1
InChIInChI=1S/C17H22N4/c1-4-14-6-2-7-19-17(14)15(5-1)13-21-10-3-9-20-11-8-18-12-16(20)21/h1-2,4-7,16,18H,3,8-13H2
InChIKeyQVJCUAGSOYWOGL-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.67
Rot. Bonds2

About 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine

1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine (PubChem CID 67446912) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine
PubChem CID67446912
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine
SMILESc1cnc2c(CN3CCCN4CCNCC43)cccc2c1
InChIInChI=1S/C17H22N4/c1-4-14-6-2-7-19-17(14)15(5-1)13-21-10-3-9-20-11-8-18-12-16(20)21/h1-2,4-7,16,18H,3,8-13H2
InChIKeyQVJCUAGSOYWOGL-UHFFFAOYSA-N
XLogP1.67
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine?
The IUPAC name of 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine (CID 67446912) is 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine?
The canonical SMILES for 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine is c1cnc2c(CN3CCCN4CCNCC43)cccc2c1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine?
The InChIKey is QVJCUAGSOYWOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-14-6-2-7-19-17(14)15(5-1)13-21-10-3-9-20-11-8-18-12-16(20)21/h1-2,4-7,16,18H,3,8-13H2.
What are the key properties of 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine?
1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)-2,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidine is sourced from PubChem (CID 67446912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).