1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone

C27H24N2O3 — CID 5294603

IUPAC1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone
SMILESCOc1ccc(/C=C\c2nc3ccccc3nc2OCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C27H24N2O3/c1-18-8-12-21(16-19(18)2)26(30)17-32-27-25(28-23-6-4-5-7-24(23)29-27)15-11-20-9-13-22(31-3)14-10-20/h4-16H,17H2,1-3H3/b15-11-
InChIKeySJWURXSJUZWQTQ-PTNGSMBKSA-N
MW424.50 g/mol
LogP5.69
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone

1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone (PubChem CID 5294603) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone
PubChem CID5294603
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone
SMILESCOc1ccc(/C=C\c2nc3ccccc3nc2OCC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C27H24N2O3/c1-18-8-12-21(16-19(18)2)26(30)17-32-27-25(28-23-6-4-5-7-24(23)29-27)15-11-20-9-13-22(31-3)14-10-20/h4-16H,17H2,1-3H3/b15-11-
InChIKeySJWURXSJUZWQTQ-PTNGSMBKSA-N
XLogP5.69
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
CID 70309974
ethyl (2S)-2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxy-2-phenylacetate
CID 124551509
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 83234637
[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
CID 22765476
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
2-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 8858211
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone (CID 5294603) is 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone is COc1ccc(/C=C\c2nc3ccccc3nc2OCC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone?
The InChIKey is SJWURXSJUZWQTQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-18-8-12-21(16-19(18)2)26(30)17-32-27-25(28-23-6-4-5-7-24(23)29-27)15-11-20-9-13-22(31-3)14-10-20/h4-16H,17H2,1-3H3/b15-11-.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone?
1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone has a molecular weight of 424.50 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]quinoxalin-2-yl]oxyethanone is sourced from PubChem (CID 5294603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).