8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline

C22H23N3O5 — CID 20994830

IUPAC8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline
SMILESc1ccc(OCCOc2nc3cc4c(cc3nc2N2CCOCC2)OCCO4)cc1
InChIInChI=1S/C22H23N3O5/c1-2-4-16(5-3-1)27-10-13-30-22-21(25-6-8-26-9-7-25)23-17-14-19-20(15-18(17)24-22)29-12-11-28-19/h1-5,14-15H,6-13H2
InChIKeyVGOXGLNQJBATCO-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.70
Rot. Bonds6

About 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline

8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline (PubChem CID 20994830) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline.

Molecular Properties

Compound Name8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline
PubChem CID20994830
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline
SMILESc1ccc(OCCOc2nc3cc4c(cc3nc2N2CCOCC2)OCCO4)cc1
InChIInChI=1S/C22H23N3O5/c1-2-4-16(5-3-1)27-10-13-30-22-21(25-6-8-26-9-7-25)23-17-14-19-20(15-18(17)24-22)29-12-11-28-19/h1-5,14-15H,6-13H2
InChIKeyVGOXGLNQJBATCO-UHFFFAOYSA-N
XLogP2.70
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-morpholin-4-yl-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline
CID 4789312
4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine
CID 122190766
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
3-(2-phenoxyethyl)-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazole
CID 18525467
4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137077
4-[1-(2-phenoxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 1098828
13,14,30,31-tetrapyridin-2-yl-2,5,8,19,22,25-hexaoxa-12,15,29,32-tetrazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,12,14,16,27,29,31,33-decaene
CID 102343611
N-(3-phenoxypropyl)morpholin-4-amine
CID 83021073
2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite
CID 163276537
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
CID 122294281
[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
CID 6459622

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline?
The IUPAC name of 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline (CID 20994830) is 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline.
What is the SMILES notation for 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline?
The canonical SMILES for 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline is c1ccc(OCCOc2nc3cc4c(cc3nc2N2CCOCC2)OCCO4)cc1.
What is the InChIKey of 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline?
The InChIKey is VGOXGLNQJBATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-2-4-16(5-3-1)27-10-13-30-22-21(25-6-8-26-9-7-25)23-17-14-19-20(15-18(17)24-22)29-12-11-28-19/h1-5,14-15H,6-13H2.
What are the key properties of 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline?
8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline has a molecular weight of 409.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-7-(2-phenoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxaline is sourced from PubChem (CID 20994830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).