(9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C17H21N3 — CID 11461930

IUPAC(9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc2nc(N3CCN4CCCC[C@@H]4C3)ccc2c1
InChIInChI=1S/C17H21N3/c1-2-7-16-14(5-1)8-9-17(18-16)20-12-11-19-10-4-3-6-15(19)13-20/h1-2,5,7-9,15H,3-4,6,10-13H2/t15-/m1/s1
InChIKeyXSEBHCNVSJIJOI-OAHLLOKOSA-N
MW267.38 g/mol
LogP2.91
Rot. Bonds1

About (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 11461930) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID11461930
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name(9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc2nc(N3CCN4CCCC[C@@H]4C3)ccc2c1
InChIInChI=1S/C17H21N3/c1-2-7-16-14(5-1)8-9-17(18-16)20-12-11-19-10-4-3-6-15(19)13-20/h1-2,5,7-9,15H,3-4,6,10-13H2/t15-/m1/s1
InChIKeyXSEBHCNVSJIJOI-OAHLLOKOSA-N
XLogP2.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 11461930) is (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is c1ccc2nc(N3CCN4CCCC[C@@H]4C3)ccc2c1.
What is the InChIKey of (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is XSEBHCNVSJIJOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-7-16-14(5-1)8-9-17(18-16)20-12-11-19-10-4-3-6-15(19)13-20/h1-2,5,7-9,15H,3-4,6,10-13H2/t15-/m1/s1.
What are the key properties of (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 267.38 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-quinolin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 11461930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).