3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline

C19H28N2 — CID 159831284

IUPAC3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
SMILESCc1ccc2c(c1)CCC1CN(C3CCCCC3)CCN21
InChIInChI=1S/C19H28N2/c1-15-7-10-19-16(13-15)8-9-18-14-20(11-12-21(18)19)17-5-3-2-4-6-17/h7,10,13,17-18H,2-6,8-9,11-12,14H2,1H3
InChIKeyPRIPOXKASZTWTH-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.76
Rot. Bonds1

About 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline

3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (PubChem CID 159831284) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline.

Molecular Properties

Compound Name3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
PubChem CID159831284
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
SMILESCc1ccc2c(c1)CCC1CN(C3CCCCC3)CCN21
InChIInChI=1S/C19H28N2/c1-15-7-10-19-16(13-15)8-9-18-14-20(11-12-21(18)19)17-5-3-2-4-6-17/h7,10,13,17-18H,2-6,8-9,11-12,14H2,1H3
InChIKeyPRIPOXKASZTWTH-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The IUPAC name of 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline (CID 159831284) is 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline.
What is the SMILES notation for 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The canonical SMILES for 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline is Cc1ccc2c(c1)CCC1CN(C3CCCCC3)CCN21.
What is the InChIKey of 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
The InChIKey is PRIPOXKASZTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-15-7-10-19-16(13-15)8-9-18-14-20(11-12-21(18)19)17-5-3-2-4-6-17/h7,10,13,17-18H,2-6,8-9,11-12,14H2,1H3.
What are the key properties of 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline?
3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline has a molecular weight of 284.45 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline is sourced from PubChem (CID 159831284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).