3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine

C16H20N4O — CID 102986147

IUPAC3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1N1CCOC2CCCCC21
InChIInChI=1S/C16H20N4O/c17-15-16(19-12-6-2-1-5-11(12)18-15)20-9-10-21-14-8-4-3-7-13(14)20/h1-2,5-6,13-14H,3-4,7-10H2,(H2,17,18)
InChIKeyXMNHXAAGSPDTPP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.36
Rot. Bonds1

About 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine (PubChem CID 102986147) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine
PubChem CID102986147
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1N1CCOC2CCCCC21
InChIInChI=1S/C16H20N4O/c17-15-16(19-12-6-2-1-5-11(12)18-15)20-9-10-21-14-8-4-3-7-13(14)20/h1-2,5-6,13-14H,3-4,7-10H2,(H2,17,18)
InChIKeyXMNHXAAGSPDTPP-UHFFFAOYSA-N
XLogP2.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine with MolForge

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Related Compounds

4-(2-chloroquinazolin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 62478030
4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 166197861
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
CID 80653626
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine
CID 62181955
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine
CID 115320628
(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80812190
[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)isoquinolin-4-yl]methanol
CID 106768161
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromopyrimidin-2-amine
CID 80811772
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
CID 80812470
(4aS,8aS)-4-[(3-methylquinoxalin-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94414210
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methylaniline
CID 113333738

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine?
The IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine (CID 102986147) is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine?
The canonical SMILES for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine is Nc1nc2ccccc2nc1N1CCOC2CCCCC21.
What is the InChIKey of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine?
The InChIKey is XMNHXAAGSPDTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-15-16(19-12-6-2-1-5-11(12)18-15)20-9-10-21-14-8-4-3-7-13(14)20/h1-2,5-6,13-14H,3-4,7-10H2,(H2,17,18).
What are the key properties of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine?
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine is sourced from PubChem (CID 102986147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).