[8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

C16H19ClN4O2 — CID 139018490

IUPAC[8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESOCC12COCCN1CCN(c1cnc3cc(Cl)ccc3n1)C2
InChIInChI=1S/C16H19ClN4O2/c17-12-1-2-13-14(7-12)18-8-15(19-13)20-3-4-21-5-6-23-11-16(21,9-20)10-22/h1-2,7-8,22H,3-6,9-11H2
InChIKeyBLEGQNUNJSIZOS-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.17
Rot. Bonds2

About [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol

[8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (PubChem CID 139018490) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.

Molecular Properties

Compound Name[8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
PubChem CID139018490
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name[8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
SMILESOCC12COCCN1CCN(c1cnc3cc(Cl)ccc3n1)C2
InChIInChI=1S/C16H19ClN4O2/c17-12-1-2-13-14(7-12)18-8-15(19-13)20-3-4-21-5-6-23-11-16(21,9-20)10-22/h1-2,7-8,22H,3-6,9-11H2
InChIKeyBLEGQNUNJSIZOS-UHFFFAOYSA-N
XLogP1.17
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol with MolForge

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Related Compounds

6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
[8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
CID 136571585
6-chloro-2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)quinoxaline
CID 172893506
6-chloro-2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 166601988
6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 166601989
6-chloro-2-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 171997685
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881971
[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155976272
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-chloroquinoxaline
CID 171702067
1-(6-chloroquinoxalin-2-yl)-N-methylazetidine-3-carboxamide
CID 175649549

Frequently Asked Questions

What is the IUPAC name of [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The IUPAC name of [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol (CID 139018490) is [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol.
What is the SMILES notation for [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The canonical SMILES for [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is OCC12COCCN1CCN(c1cnc3cc(Cl)ccc3n1)C2.
What is the InChIKey of [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
The InChIKey is BLEGQNUNJSIZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-12-1-2-13-14(7-12)18-8-15(19-13)20-3-4-21-5-6-23-11-16(21,9-20)10-22/h1-2,7-8,22H,3-6,9-11H2.
What are the key properties of [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol?
[8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol has a molecular weight of 334.81 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-chloroquinoxalin-2-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol is sourced from PubChem (CID 139018490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).