(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone

C15H21N3O2 — CID 104614640

IUPAC(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESCCC1COCCN1C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H21N3O2/c1-2-12-10-20-8-7-18(12)15(19)11-3-4-13-14(9-11)17-6-5-16-13/h3-4,9,12,16-17H,2,5-8,10H2,1H3
InChIKeyUGMSTIMHFPPSLL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds2

About (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone

(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (PubChem CID 104614640) 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-6-yl)methanone.

Molecular Properties

Compound Name(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
PubChem CID104614640
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESCCC1COCCN1C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H21N3O2/c1-2-12-10-20-8-7-18(12)15(19)11-3-4-13-14(9-11)17-6-5-16-13/h3-4,9,12,16-17H,2,5-8,10H2,1H3
InChIKeyUGMSTIMHFPPSLL-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The IUPAC name of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (CID 104614640) is (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone.
What is the SMILES notation for (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The canonical SMILES for (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone is CCC1COCCN1C(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The InChIKey is UGMSTIMHFPPSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-12-10-20-8-7-18(12)15(19)11-3-4-13-14(9-11)17-6-5-16-13/h3-4,9,12,16-17H,2,5-8,10H2,1H3.
What are the key properties of (3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 1.77, 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-6-yl)methanone is sourced from PubChem (CID 104614640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).