[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone

C17H20N4O2 — CID 155499880

IUPAC[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone
SMILESC[C@H]1COC[C@H]2CN(C(=O)c3ccc4nccnc4c3)CCN21
InChIInChI=1S/C17H20N4O2/c1-12-10-23-11-14-9-20(6-7-21(12)14)17(22)13-2-3-15-16(8-13)19-5-4-18-15/h2-5,8,12,14H,6-7,9-11H2,1H3/t12-,14+/m0/s1
InChIKeyCPRZBDMGEDVHNZ-GXTWGEPZSA-N
MW312.37 g/mol
LogP1.17
Rot. Bonds1

About [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone

[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone (PubChem CID 155499880) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone
PubChem CID155499880
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone
SMILESC[C@H]1COC[C@H]2CN(C(=O)c3ccc4nccnc4c3)CCN21
InChIInChI=1S/C17H20N4O2/c1-12-10-23-11-14-9-20(6-7-21(12)14)17(22)13-2-3-15-16(8-13)19-5-4-18-15/h2-5,8,12,14H,6-7,9-11H2,1H3/t12-,14+/m0/s1
InChIKeyCPRZBDMGEDVHNZ-GXTWGEPZSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-quinoxalin-6-ylmethanone
CID 155505420
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(1,3-benzothiazol-5-yl)methanone
CID 134706093
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 155504139
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
CID 78945959
(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155497593
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096

Frequently Asked Questions

What is the IUPAC name of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone (CID 155499880) is [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone is C[C@H]1COC[C@H]2CN(C(=O)c3ccc4nccnc4c3)CCN21.
What is the InChIKey of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone?
The InChIKey is CPRZBDMGEDVHNZ-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-10-23-11-14-9-20(6-7-21(12)14)17(22)13-2-3-15-16(8-13)19-5-4-18-15/h2-5,8,12,14H,6-7,9-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone?
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 155499880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).