3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one

C14H23N3O3 — CID 4893042

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
SMILESO=C1NC2CCCCC2NC1CC(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c18-13(17-5-7-20-8-6-17)9-12-14(19)16-11-4-2-1-3-10(11)15-12/h10-12,15H,1-9H2,(H,16,19)
InChIKeyCJDOMVMDKQRIPZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.37
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one

3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one (PubChem CID 4893042) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
PubChem CID4893042
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
SMILESO=C1NC2CCCCC2NC1CC(=O)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c18-13(17-5-7-20-8-6-17)9-12-14(19)16-11-4-2-1-3-10(11)15-12/h10-12,15H,1-9H2,(H,16,19)
InChIKeyCJDOMVMDKQRIPZ-UHFFFAOYSA-N
XLogP-0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one with MolForge

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Related Compounds

(3S,4aS,8aR)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 2029382
(3R,4aR,8aR)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 7085433
(3S,4aR,8aS)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 2034568
(3S,4aS,8aR)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 11891292
2-[(2S,4aR,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-methylacetamide
CID 97183703
methyl 2-[(2S,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]acetate
CID 7045789
2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
CID 135989626
(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 95571346
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2-methoxyethyl)acetamide
CID 97183717
2-[(2R,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 6546718
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one (CID 4893042) is 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one is O=C1NC2CCCCC2NC1CC(=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
The InChIKey is CJDOMVMDKQRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-13(17-5-7-20-8-6-17)9-12-14(19)16-11-4-2-1-3-10(11)15-12/h10-12,15H,1-9H2,(H,16,19).
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one?
3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one has a molecular weight of 281.36 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one is sourced from PubChem (CID 4893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).