2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

C20H26N2O2 — CID 72793689

IUPAC2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCc1cccc2c1CCN1C(=O)CN(C(=O)C3CCCCC3)CC21
InChIInChI=1S/C20H26N2O2/c1-14-6-5-9-17-16(14)10-11-22-18(17)12-21(13-19(22)23)20(24)15-7-3-2-4-8-15/h5-6,9,15,18H,2-4,7-8,10-13H2,1H3
InChIKeyQRHVXCUZNUJUNR-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.84
Rot. Bonds1

About 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (PubChem CID 72793689) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
PubChem CID72793689
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCc1cccc2c1CCN1C(=O)CN(C(=O)C3CCCCC3)CC21
InChIInChI=1S/C20H26N2O2/c1-14-6-5-9-17-16(14)10-11-22-18(17)12-21(13-19(22)23)20(24)15-7-3-2-4-8-15/h5-6,9,15,18H,2-4,7-8,10-13H2,1H3
InChIKeyQRHVXCUZNUJUNR-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one with MolForge

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Related Compounds

(12bS)-2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 73415932
(11bS)-2-(4,4-dideuteriocyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 66549522
(11bR)-2-(4-hydroxycyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51419535
(11bS)-2-(4,4-difluorocyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 118081896
2-(3,5-dimethoxybenzoyl)-8-fluoro-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 46103758
methyl 4-[[(11bS)-8-fluoro-4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbonyl]amino]benzoate
CID 92760872
2-(4-methylbenzoyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547382
2-(2-cyclopentylpropanoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 110355022
2-(cyclohexanecarbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 73134658
CID 71481638
CID 71481638
(11bR)-2-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 89398666
6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole;2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 67448778

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (CID 72793689) is 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is Cc1cccc2c1CCN1C(=O)CN(C(=O)C3CCCCC3)CC21.
What is the InChIKey of 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is QRHVXCUZNUJUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-6-5-9-17-16(14)10-11-22-18(17)12-21(13-19(22)23)20(24)15-7-3-2-4-8-15/h5-6,9,15,18H,2-4,7-8,10-13H2,1H3.
What are the key properties of 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 326.44 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyl)-8-methyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 72793689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).