N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide

C26H28N6O3 — CID 143442920

IUPACN-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
SMILESCOc1cc(Nc2nc3ccccc3nc2Nc2ccc(NC(=O)CN(C)C)cc2)cc(OC)c1
InChIInChI=1S/C26H28N6O3/c1-32(2)16-24(33)27-17-9-11-18(12-10-17)28-25-26(31-23-8-6-5-7-22(23)30-25)29-19-13-20(34-3)15-21(14-19)35-4/h5-15H,16H2,1-4H3,(H,27,33)(H,28,30)(H,29,31)
InChIKeyZHNMLXMAGWLHCL-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.63
Rot. Bonds9

About N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide

N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide (PubChem CID 143442920) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
PubChem CID143442920
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
SMILESCOc1cc(Nc2nc3ccccc3nc2Nc2ccc(NC(=O)CN(C)C)cc2)cc(OC)c1
InChIInChI=1S/C26H28N6O3/c1-32(2)16-24(33)27-17-9-11-18(12-10-17)28-25-26(31-23-8-6-5-7-22(23)30-25)29-19-13-20(34-3)15-21(14-19)35-4/h5-15H,16H2,1-4H3,(H,27,33)(H,28,30)(H,29,31)
InChIKeyZHNMLXMAGWLHCL-UHFFFAOYSA-N
XLogP4.63
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-1λ4-thia-2-azacycloprop-3-en-1-yl]-4-methylphenyl]-2-(dimethylamino)acetamide
CID 143442759
N-[3-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfinamoylphenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 145495662
2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
2-[2-(dimethylamino)ethyl-methylamino]-N-[3-[[3-[3-(hydroxymethyl)-5-methoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 70906967
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine
CID 145134762
2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249201
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[methyl-(1-methylpyrrolidin-3-yl)amino]acetamide
CID 59249158
2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25027721
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-[5-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]cyclohexa-1,5-dien-1-yl]-2-[methyl-(1-methylpyrrolidin-3-yl)amino]acetamide
CID 145495771
2-[cyclopropylmethyl(propyl)amino]-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]sulfanylphenyl]acetamide
CID 145495741

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide (CID 143442920) is N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide is COc1cc(Nc2nc3ccccc3nc2Nc2ccc(NC(=O)CN(C)C)cc2)cc(OC)c1.
What is the InChIKey of N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is ZHNMLXMAGWLHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-32(2)16-24(33)27-17-9-11-18(12-10-17)28-25-26(31-23-8-6-5-7-22(23)30-25)29-19-13-20(34-3)15-21(14-19)35-4/h5-15H,16H2,1-4H3,(H,27,33)(H,28,30)(H,29,31).
What are the key properties of N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 472.55 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 143442920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).