6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one

C14H19N3O — CID 84631970

IUPAC6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCCN1CC2CNCC(=O)N2c2ccc(C)cc21
InChIInChI=1S/C14H19N3O/c1-3-16-9-11-7-15-8-14(18)17(11)12-5-4-10(2)6-13(12)16/h4-6,11,15H,3,7-9H2,1-2H3
InChIKeyBQIMUYRMPKURGZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.14
Rot. Bonds1

About 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one

6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (PubChem CID 84631970) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.

Molecular Properties

Compound Name6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
PubChem CID84631970
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCCN1CC2CNCC(=O)N2c2ccc(C)cc21
InChIInChI=1S/C14H19N3O/c1-3-16-9-11-7-15-8-14(18)17(11)12-5-4-10(2)6-13(12)16/h4-6,11,15H,3,7-9H2,1-2H3
InChIKeyBQIMUYRMPKURGZ-UHFFFAOYSA-N
XLogP1.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile
CID 84635970
8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84646142
6-ethyl-8-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84626679
10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84645296
7,9-dimethyl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740131
7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84646679
1-ethyl-3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82241399
8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84740780
6-ethyl-8,10-dimethyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84632073
8-bromo-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
CID 84742972
8-ethyl-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
CID 84637771
8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
CID 115107456

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The IUPAC name of 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (CID 84631970) is 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.
What is the SMILES notation for 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The canonical SMILES for 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is CCN1CC2CNCC(=O)N2c2ccc(C)cc21.
What is the InChIKey of 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The InChIKey is BQIMUYRMPKURGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-16-9-11-7-15-8-14(18)17(11)12-5-4-10(2)6-13(12)16/h4-6,11,15H,3,7-9H2,1-2H3.
What are the key properties of 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is sourced from PubChem (CID 84631970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).