ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate

C25H22N2O3 — CID 46196385

IUPACethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate
SMILESCCOC(=O)COC(c1ccccc1)c1cccc(-c2ccc3nccnc3c2)c1
InChIInChI=1S/C25H22N2O3/c1-2-29-24(28)17-30-25(18-7-4-3-5-8-18)21-10-6-9-19(15-21)20-11-12-22-23(16-20)27-14-13-26-22/h3-16,25H,2,17H2,1H3
InChIKeyHNODCIXQIRDSKU-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.97
Rot. Bonds7

About ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate

ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate (PubChem CID 46196385) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate
PubChem CID46196385
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Nameethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate
SMILESCCOC(=O)COC(c1ccccc1)c1cccc(-c2ccc3nccnc3c2)c1
InChIInChI=1S/C25H22N2O3/c1-2-29-24(28)17-30-25(18-7-4-3-5-8-18)21-10-6-9-19(15-21)20-11-12-22-23(16-20)27-14-13-26-22/h3-16,25H,2,17H2,1H3
InChIKeyHNODCIXQIRDSKU-UHFFFAOYSA-N
XLogP4.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
(4-methylphenyl)methyl 2-benzhydryloxyacetate
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ethyl 2-[bis[4-(dimethylamino)phenyl]methoxy]acetate
CID 131712796
ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
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ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
azane;2-benzhydryloxyacetic acid;propane
CID 173385608
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl propanoate
CID 68972161
2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine
CID 150367286
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate?
The IUPAC name of ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate (CID 46196385) is ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate.
What is the SMILES notation for ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate?
The canonical SMILES for ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate is CCOC(=O)COC(c1ccccc1)c1cccc(-c2ccc3nccnc3c2)c1.
What is the InChIKey of ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate?
The InChIKey is HNODCIXQIRDSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-2-29-24(28)17-30-25(18-7-4-3-5-8-18)21-10-6-9-19(15-21)20-11-12-22-23(16-20)27-14-13-26-22/h3-16,25H,2,17H2,1H3.
What are the key properties of ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate?
ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate has a molecular weight of 398.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate is sourced from PubChem (CID 46196385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).