6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C15H16Cl2N4O — CID 84599400

IUPAC6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCN1CCOC2CN(c3cnc4cc(Cl)c(Cl)cc4n3)CC21
InChIInChI=1S/C15H16Cl2N4O/c1-20-2-3-22-14-8-21(7-13(14)20)15-6-18-11-4-9(16)10(17)5-12(11)19-15/h4-6,13-14H,2-3,7-8H2,1H3
InChIKeyYIULCECVOFTMFW-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.46
Rot. Bonds1

About 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 84599400) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID84599400
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCN1CCOC2CN(c3cnc4cc(Cl)c(Cl)cc4n3)CC21
InChIInChI=1S/C15H16Cl2N4O/c1-20-2-3-22-14-8-21(7-13(14)20)15-6-18-11-4-9(16)10(17)5-12(11)19-15/h4-6,13-14H,2-3,7-8H2,1H3
InChIKeyYIULCECVOFTMFW-UHFFFAOYSA-N
XLogP2.46
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 84599400) is 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is CN1CCOC2CN(c3cnc4cc(Cl)c(Cl)cc4n3)CC21.
What is the InChIKey of 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is YIULCECVOFTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-20-2-3-22-14-8-21(7-13(14)20)15-6-18-11-4-9(16)10(17)5-12(11)19-15/h4-6,13-14H,2-3,7-8H2,1H3.
What are the key properties of 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 339.23 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dichloroquinoxalin-2-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 84599400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).