9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

C11H11Cl2N3O — CID 10199361

IUPAC9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESO=C1Nc2ccc(Cl)c(Cl)c2N2CCNCC12
InChIInChI=1S/C11H11Cl2N3O/c12-6-1-2-7-10(9(6)13)16-4-3-14-5-8(16)11(17)15-7/h1-2,8,14H,3-5H2,(H,15,17)
InChIKeyZLCXFVKCVPHTIU-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.72
Rot. Bonds

About 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (PubChem CID 10199361) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
PubChem CID10199361
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESO=C1Nc2ccc(Cl)c(Cl)c2N2CCNCC12
InChIInChI=1S/C11H11Cl2N3O/c12-6-1-2-7-10(9(6)13)16-4-3-14-5-8(16)11(17)15-7/h1-2,8,14H,3-5H2,(H,15,17)
InChIKeyZLCXFVKCVPHTIU-UHFFFAOYSA-N
XLogP1.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2,3-Dihydroxy-6,7-dichloroquinoxaline
CID 1845
7-Chloro-3,4-dihydro-1H-quinoxalin-2-one
CID 285323
8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a)quinoxalin-5(6H)-one
CID 3906894
5,6,7-Trichloro-1,4-dihydro-quinoxaline-2,3-dione
CID 10849325
8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 12986494
(R)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 6604916
7,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
CID 9795468
N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)acetamide
CID 10755760
5-Amino-6,7-dichloro-1,4-dihydro-2,3-quinoxalinedione
CID 10800420
(S)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 12986493
(R)-8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 12986495
(S)-8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 12986496

Frequently Asked Questions

What is the IUPAC name of 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (CID 10199361) is 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is O=C1Nc2ccc(Cl)c(Cl)c2N2CCNCC12.
What is the InChIKey of 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is ZLCXFVKCVPHTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-6-1-2-7-10(9(6)13)16-4-3-14-5-8(16)11(17)15-7/h1-2,8,14H,3-5H2,(H,15,17).
What are the key properties of 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one has a molecular weight of 272.13 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 10199361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).