ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate

C23H28N4O3S — CID 4307057

IUPACethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(Nc2nc3ccccc3nc2N2CC(C)OC(C)C2)sc(C)c1C
InChIInChI=1S/C23H28N4O3S/c1-6-29-23(28)19-15(4)16(5)31-22(19)26-20-21(27-11-13(2)30-14(3)12-27)25-18-10-8-7-9-17(18)24-20/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyBTDWZDDWXVQVAO-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.84
Rot. Bonds5

About ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 4307057) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID4307057
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Nameethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(Nc2nc3ccccc3nc2N2CC(C)OC(C)C2)sc(C)c1C
InChIInChI=1S/C23H28N4O3S/c1-6-29-23(28)19-15(4)16(5)31-22(19)26-20-21(27-11-13(2)30-14(3)12-27)25-18-10-8-7-9-17(18)24-20/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyBTDWZDDWXVQVAO-UHFFFAOYSA-N
XLogP4.84
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 4550358
4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid
CID 122058685
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483658
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 18074129
ethyl 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-phenyl-1,2,4-triazine-6-carboxylate
CID 6404624
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
CID 102987519
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxalin-2-amine
CID 71846707
ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 42931117
4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 133378380
2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505337
2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 92505335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 4307057) is ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CC(C)OC(C)C2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is BTDWZDDWXVQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-6-29-23(28)19-15(4)16(5)31-22(19)26-20-21(27-11-13(2)30-14(3)12-27)25-18-10-8-7-9-17(18)24-20/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,26).
What are the key properties of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 440.57 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 4307057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).