(4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

C11H11Cl2N3O — CID 12986493

IUPAC(4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESO=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@@H]12
InChIInChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m0/s1
InChIKeyPHGWDAICBXUJDU-JTQLQIEISA-N
MW272.13 g/mol
LogP1.72
Rot. Bonds

About (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

(4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (PubChem CID 12986493) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name(4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
PubChem CID12986493
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name(4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESO=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@@H]12
InChIInChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m0/s1
InChIKeyPHGWDAICBXUJDU-JTQLQIEISA-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 (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one with MolForge

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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
Vuf-10214
CID 11301441
8,9-Dichloro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
CID 12986494
3-[4-(3,4-Dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3155911
(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
9,10-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
CID 10199361
5-Amino-6,7-dichloro-1,4-dihydro-2,3-quinoxalinedione
CID 10800420
(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 (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (CID 12986493) is (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is O=C1Nc2cc(Cl)c(Cl)cc2N2CCNC[C@@H]12.
What is the InChIKey of (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is PHGWDAICBXUJDU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m0/s1.
What are the key properties of (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
(4aS)-8,9-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 (4aS)-8,9-dichloro-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 12986493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).