9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione

C12H12ClN3O2 — CID 84640070

IUPAC9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCc1cc(Cl)cc2c1NC(=O)C1CNCC(=O)N21
InChIInChI=1S/C12H12ClN3O2/c1-6-2-7(13)3-8-11(6)15-12(18)9-4-14-5-10(17)16(8)9/h2-3,9,14H,4-5H2,1H3,(H,15,18)
InChIKeyMKCPXKBIHBDZHA-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.91
Rot. Bonds

About 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione

9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione (PubChem CID 84640070) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione.

Molecular Properties

Compound Name9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
PubChem CID84640070
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCc1cc(Cl)cc2c1NC(=O)C1CNCC(=O)N21
InChIInChI=1S/C12H12ClN3O2/c1-6-2-7(13)3-8-11(6)15-12(18)9-4-14-5-10(17)16(8)9/h2-3,9,14H,4-5H2,1H3,(H,15,18)
InChIKeyMKCPXKBIHBDZHA-UHFFFAOYSA-N
XLogP0.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The IUPAC name of 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione (CID 84640070) is 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione.
What is the SMILES notation for 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The canonical SMILES for 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione is Cc1cc(Cl)cc2c1NC(=O)C1CNCC(=O)N21.
What is the InChIKey of 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The InChIKey is MKCPXKBIHBDZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-6-2-7(13)3-8-11(6)15-12(18)9-4-14-5-10(17)16(8)9/h2-3,9,14H,4-5H2,1H3,(H,15,18).
What are the key properties of 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione has a molecular weight of 265.70 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione is sourced from PubChem (CID 84640070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).