[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone

C20H25N3O2 — CID 45246737

IUPAC[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C20H25N3O2/c24-20(17-7-4-8-18-19(17)22-10-9-21-18)23-11-12-25-16(14-23)13-15-5-2-1-3-6-15/h4,7-10,15-16H,1-3,5-6,11-14H2
InChIKeyYIJPJTADIPJBPS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.44
Rot. Bonds3

About [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone

[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone (PubChem CID 45246737) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
PubChem CID45246737
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
SMILESO=C(c1cccc2nccnc12)N1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C20H25N3O2/c24-20(17-7-4-8-18-19(17)22-10-9-21-18)23-11-12-25-16(14-23)13-15-5-2-1-3-6-15/h4,7-10,15-16H,1-3,5-6,11-14H2
InChIKeyYIJPJTADIPJBPS-UHFFFAOYSA-N
XLogP3.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 42401886
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
(2-amino-4-phenylpyrimidin-5-yl)-[2-(cyclohexylmethyl)morpholin-4-yl]methanone
CID 56873611
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 26396060
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
CID 104615547
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42293003

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone (CID 45246737) is [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone is O=C(c1cccc2nccnc12)N1CCOC(CC2CCCCC2)C1.
What is the InChIKey of [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone?
The InChIKey is YIJPJTADIPJBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(17-7-4-8-18-19(17)22-10-9-21-18)23-11-12-25-16(14-23)13-15-5-2-1-3-6-15/h4,7-10,15-16H,1-3,5-6,11-14H2.
What are the key properties of [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone?
[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 45246737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).