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

C18H23N3 — CID 133458927

IUPAC2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1ccc2nccc(N3CCN4CCCCC4C3)c2c1
InChIInChI=1S/C18H23N3/c1-14-5-6-17-16(12-14)18(7-8-19-17)21-11-10-20-9-3-2-4-15(20)13-21/h5-8,12,15H,2-4,9-11,13H2,1H3
InChIKeyRZJWYYKBNQWHKY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.22
Rot. Bonds1

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

2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 133458927) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID133458927
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1ccc2nccc(N3CCN4CCCCC4C3)c2c1
InChIInChI=1S/C18H23N3/c1-14-5-6-17-16(12-14)18(7-8-19-17)21-11-10-20-9-3-2-4-15(20)13-21/h5-8,12,15H,2-4,9-11,13H2,1H3
InChIKeyRZJWYYKBNQWHKY-UHFFFAOYSA-N
XLogP3.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

4-(azepan-1-yl)-6-methylquinoline
CID 133466822
2-quinolin-5-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915081
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylbenzonitrile
CID 107927637
2-(2,4-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930616
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
6-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline
CID 133467548
4-(4-ethoxypiperidin-1-yl)-6-methylquinoline
CID 133466649
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253
6-methyl-4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97284997
N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133467701
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 133458927) is 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Cc1ccc2nccc(N3CCN4CCCCC4C3)c2c1.
What is the InChIKey of 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is RZJWYYKBNQWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-5-6-17-16(12-14)18(7-8-19-17)21-11-10-20-9-3-2-4-15(20)13-21/h5-8,12,15H,2-4,9-11,13H2,1H3.
What are the key properties of 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 281.40 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylquinolin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 133458927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).