N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide

C23H28N4O3 — CID 46365153

IUPACN-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2nc3ccccc3nc2N(CC)CC)c1
InChIInChI=1S/C23H28N4O3/c1-5-27(6-2)22-21(24-17-11-9-10-12-18(17)25-22)23(28)26-19-15-16(29-7-3)13-14-20(19)30-8-4/h9-15H,5-8H2,1-4H3,(H,26,28)
InChIKeyIQRBHZTUNQJXLT-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.53
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide

N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide (PubChem CID 46365153) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide
PubChem CID46365153
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2nc3ccccc3nc2N(CC)CC)c1
InChIInChI=1S/C23H28N4O3/c1-5-27(6-2)22-21(24-17-11-9-10-12-18(17)25-22)23(28)26-19-15-16(29-7-3)13-14-20(19)30-8-4/h9-15H,5-8H2,1-4H3,(H,26,28)
InChIKeyIQRBHZTUNQJXLT-UHFFFAOYSA-N
XLogP4.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
CID 46365119
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
3-(diethylamino)-N-(3-methoxyphenyl)quinoxaline-2-carboxamide
CID 46365121
2-methylpropyl 3-(2,5-diethoxyanilino)quinoxaline-2-carboxylate
CID 50765373
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
CID 13003888
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 34739145
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
N-(2-ethoxyphenyl)-3-(propylamino)quinoxaline-2-carboxamide
CID 46365308

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide (CID 46365153) is N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2nc3ccccc3nc2N(CC)CC)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
The InChIKey is IQRBHZTUNQJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-27(6-2)22-21(24-17-11-9-10-12-18(17)25-22)23(28)26-19-15-16(29-7-3)13-14-20(19)30-8-4/h9-15H,5-8H2,1-4H3,(H,26,28).
What are the key properties of N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide?
N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide is sourced from PubChem (CID 46365153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).