1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone

C24H21N3O3 — CID 68882323

IUPAC1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone
SMILESCOc1cc(Nc2nc3ccccc3nc2-c2ccc(C(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C24H21N3O3/c1-15(28)16-8-10-17(11-9-16)23-24(27-22-7-5-4-6-21(22)26-23)25-18-12-19(29-2)14-20(13-18)30-3/h4-14H,1-3H3,(H,25,27)
InChIKeyWZAFXMDWJYGDFE-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.26
Rot. Bonds6

About 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone

1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone (PubChem CID 68882323) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone
PubChem CID68882323
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone
SMILESCOc1cc(Nc2nc3ccccc3nc2-c2ccc(C(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C24H21N3O3/c1-15(28)16-8-10-17(11-9-16)23-24(27-22-7-5-4-6-21(22)26-23)25-18-12-19(29-2)14-20(13-18)30-3/h4-14H,1-3H3,(H,25,27)
InChIKeyWZAFXMDWJYGDFE-UHFFFAOYSA-N
XLogP5.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
CID 143442920
2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide
CID 69084132
3-phenyl-N-(4-phenylphenyl)quinoxalin-2-amine
CID 166918238
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine
CID 145134762
4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 46386365
3-N-(3-fluoro-5-methoxyphenyl)quinoxaline-2,3-diamine
CID 141168476
methyl 2-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanoate
CID 141170275
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
CID 151992282
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone (CID 68882323) is 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone is COc1cc(Nc2nc3ccccc3nc2-c2ccc(C(C)=O)cc2)cc(OC)c1.
What is the InChIKey of 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone?
The InChIKey is WZAFXMDWJYGDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15(28)16-8-10-17(11-9-16)23-24(27-22-7-5-4-6-21(22)26-23)25-18-12-19(29-2)14-20(13-18)30-3/h4-14H,1-3H3,(H,25,27).
What are the key properties of 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone?
1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone has a molecular weight of 399.45 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone is sourced from PubChem (CID 68882323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).