N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide

C22H24N4O5 — CID 2452347

IUPACN-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)COc2nc3ccccc3nc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C22H24N4O5/c1-28-15-7-8-18(19(13-15)29-2)23-20(27)14-31-22-21(26-9-11-30-12-10-26)24-16-5-3-4-6-17(16)25-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyPULSRLFITXIULF-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.50
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide

N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide (PubChem CID 2452347) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
PubChem CID2452347
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
SMILESCOc1ccc(NC(=O)COc2nc3ccccc3nc2N2CCOCC2)c(OC)c1
InChIInChI=1S/C22H24N4O5/c1-28-15-7-8-18(19(13-15)29-2)23-20(27)14-31-22-21(26-9-11-30-12-10-26)24-16-5-3-4-6-17(16)25-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)
InChIKeyPULSRLFITXIULF-UHFFFAOYSA-N
XLogP2.50
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide (CID 2452347) is N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide is COc1ccc(NC(=O)COc2nc3ccccc3nc2N2CCOCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
The InChIKey is PULSRLFITXIULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-28-15-7-8-18(19(13-15)29-2)23-20(27)14-31-22-21(26-9-11-30-12-10-26)24-16-5-3-4-6-17(16)25-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide has a molecular weight of 424.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide is sourced from PubChem (CID 2452347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).