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

C12H14ClN3O — CID 84634503

IUPAC10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCN1CC2CNCC(=O)N2c2c(Cl)cccc21
InChIInChI=1S/C12H14ClN3O/c1-15-7-8-5-14-6-11(17)16(8)12-9(13)3-2-4-10(12)15/h2-4,8,14H,5-7H2,1H3
InChIKeyRFPYCADQKGXHKU-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.09
Rot. Bonds

About 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one

10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (PubChem CID 84634503) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.

Molecular Properties

Compound Name10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
PubChem CID84634503
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCN1CC2CNCC(=O)N2c2c(Cl)cccc21
InChIInChI=1S/C12H14ClN3O/c1-15-7-8-5-14-6-11(17)16(8)12-9(13)3-2-4-10(12)15/h2-4,8,14H,5-7H2,1H3
InChIKeyRFPYCADQKGXHKU-UHFFFAOYSA-N
XLogP1.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The IUPAC name of 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (CID 84634503) is 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.
What is the SMILES notation for 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The canonical SMILES for 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is CN1CC2CNCC(=O)N2c2c(Cl)cccc21.
What is the InChIKey of 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The InChIKey is RFPYCADQKGXHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-15-7-8-5-14-6-11(17)16(8)12-9(13)3-2-4-10(12)15/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one has a molecular weight of 251.72 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is sourced from PubChem (CID 84634503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).