1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone

C22H22N4O3 — CID 2088850

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone
SMILESO=C(COc1nc2ccccc2nc1N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C22H22N4O3/c27-20(26-10-9-16-5-1-4-8-19(16)26)15-29-22-21(25-11-13-28-14-12-25)23-17-6-2-3-7-18(17)24-22/h1-8H,9-15H2
InChIKeyQLQWYUWYGRUBRR-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.43
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone

1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone (PubChem CID 2088850) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone
PubChem CID2088850
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone
SMILESO=C(COc1nc2ccccc2nc1N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C22H22N4O3/c27-20(26-10-9-16-5-1-4-8-19(16)26)15-29-22-21(25-11-13-28-14-12-25)23-17-6-2-3-7-18(17)24-22/h1-8H,9-15H2
InChIKeyQLQWYUWYGRUBRR-UHFFFAOYSA-N
XLogP2.43
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone (CID 2088850) is 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone is O=C(COc1nc2ccccc2nc1N1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone?
The InChIKey is QLQWYUWYGRUBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20(26-10-9-16-5-1-4-8-19(16)26)15-29-22-21(25-11-13-28-14-12-25)23-17-6-2-3-7-18(17)24-22/h1-8H,9-15H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone?
1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone has a molecular weight of 390.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyethanone is sourced from PubChem (CID 2088850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).