8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

C13H17N3O3 — CID 80502449

IUPAC8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESCOc1cc2c(cc1OC)N1CCNCC1C(=O)N2
InChIInChI=1S/C13H17N3O3/c1-18-11-5-8-9(6-12(11)19-2)16-4-3-14-7-10(16)13(17)15-8/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyJYOABVTVZDXGSR-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.43
Rot. Bonds2

About 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (PubChem CID 80502449) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
PubChem CID80502449
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESCOc1cc2c(cc1OC)N1CCNCC1C(=O)N2
InChIInChI=1S/C13H17N3O3/c1-18-11-5-8-9(6-12(11)19-2)16-4-3-14-7-10(16)13(17)15-8/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyJYOABVTVZDXGSR-UHFFFAOYSA-N
XLogP0.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(10S)-4-fluoro-1,5,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one;hydrochloride
CID 167438879
(4aR)-9-chloro-8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 10017993
7-chloro-9-methyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84634517
5-cyclopropyl-7,8-dimethoxy-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 83008695
7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84626661
ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
CID 155709453
2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114281493
2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426892
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177
(10S)-4-fluoro-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one;hydrochloride
CID 167438965
3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 103594512
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (CID 80502449) is 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is COc1cc2c(cc1OC)N1CCNCC1C(=O)N2.
What is the InChIKey of 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is JYOABVTVZDXGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-11-5-8-9(6-12(11)19-2)16-4-3-14-7-10(16)13(17)15-8/h5-6,10,14H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one has a molecular weight of 263.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 80502449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).