(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

C15H21N3O2 — CID 107356029

IUPAC(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCCC1COCCN1C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C15H21N3O2/c1-2-11-10-20-8-7-18(11)15(19)14-9-16-12-5-3-4-6-13(12)17-14/h3-6,11,14,16-17H,2,7-10H2,1H3
InChIKeyWGPHMLKBUJLBNH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.53
Rot. Bonds2

About (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (PubChem CID 107356029) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
PubChem CID107356029
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESCCC1COCCN1C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C15H21N3O2/c1-2-11-10-20-8-7-18(11)15(19)14-9-16-12-5-3-4-6-13(12)17-14/h3-6,11,14,16-17H,2,7-10H2,1H3
InChIKeyWGPHMLKBUJLBNH-UHFFFAOYSA-N
XLogP1.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Analyze (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone with MolForge

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]-(3-ethylmorpholin-4-yl)methanone
CID 61155795
(2,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356172
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356320
2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 76895259
(2,2-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356026
(3-ethylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714102
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443
6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017
[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61156453
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878

Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (CID 107356029) is (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is CCC1COCCN1C(=O)C1CNc2ccccc2N1.
What is the InChIKey of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The InChIKey is WGPHMLKBUJLBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-11-10-20-8-7-18(11)15(19)14-9-16-12-5-3-4-6-13(12)17-14/h3-6,11,14,16-17H,2,7-10H2,1H3.
What are the key properties of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is sourced from PubChem (CID 107356029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).