(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline

C19H23N3 — CID 125482012

IUPAC(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
SMILESc1ccc(CCN2CCN3c4ccccc4CC[C@@H]3C2)nc1
InChIInChI=1S/C19H23N3/c1-2-7-19-16(5-1)8-9-18-15-21(13-14-22(18)19)12-10-17-6-3-4-11-20-17/h1-7,11,18H,8-10,12-15H2/t18-/m1/s1
InChIKeyDPWASHUOTZMUQG-GOSISDBHSA-N
MW293.41 g/mol
LogP2.76
Rot. Bonds3

About (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline

(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (PubChem CID 125482012) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
PubChem CID125482012
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
SMILESc1ccc(CCN2CCN3c4ccccc4CC[C@@H]3C2)nc1
InChIInChI=1S/C19H23N3/c1-2-7-19-16(5-1)8-9-18-15-21(13-14-22(18)19)12-10-17-6-3-4-11-20-17/h1-7,11,18H,8-10,12-15H2/t18-/m1/s1
InChIKeyDPWASHUOTZMUQG-GOSISDBHSA-N
XLogP2.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline with MolForge

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Related Compounds

4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol
CID 21116508
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
2-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]isoindole-1,3-dione
CID 139703019
(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537104
(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 151381048
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
N-[4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]-2,6-difluorobenzamide;hydrochloride
CID 139703055
N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-2,4-difluorobenzamide
CID 139703076
N-[4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]-4-fluorobenzamide
CID 139703046
3-[3-(5-fluoro-2-methylbenzimidazol-1-yl)propyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 67554634
2-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 56906648
2-[2-[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]ethyl]pyridine
CID 95707838

Frequently Asked Questions

What is the IUPAC name of (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The IUPAC name of (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (CID 125482012) is (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline.
What is the SMILES notation for (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The canonical SMILES for (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline is c1ccc(CCN2CCN3c4ccccc4CC[C@@H]3C2)nc1.
What is the InChIKey of (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The InChIKey is DPWASHUOTZMUQG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-7-19-16(5-1)8-9-18-15-21(13-14-22(18)19)12-10-17-6-3-4-11-20-17/h1-7,11,18H,8-10,12-15H2/t18-/m1/s1.
What are the key properties of (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline has a molecular weight of 293.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline is sourced from PubChem (CID 125482012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).