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

C28H30N4O3S — CID 4550358

IUPACethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)csc1Nc1nc2ccccc2nc1N1CC(C)OC(C)C1
InChIInChI=1S/C28H30N4O3S/c1-5-34-28(33)24-21(20-12-10-17(2)11-13-20)16-36-27(24)31-25-26(32-14-18(3)35-19(4)15-32)30-23-9-7-6-8-22(23)29-25/h6-13,16,18-19H,5,14-15H2,1-4H3,(H,29,31)
InChIKeyPPTVVZNPTXFGPQ-UHFFFAOYSA-N
MW502.64 g/mol
LogP6.20
Rot. Bonds6

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

ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate (PubChem CID 4550358) has the molecular formula C28H30N4O3S and a molecular weight of 502.64 g/mol. Its IUPAC name is ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
PubChem CID4550358
Molecular FormulaC28H30N4O3S
Molecular Weight502.64 g/mol
Exact Mass502.20
IUPAC Nameethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)csc1Nc1nc2ccccc2nc1N1CC(C)OC(C)C1
InChIInChI=1S/C28H30N4O3S/c1-5-34-28(33)24-21(20-12-10-17(2)11-13-20)16-36-27(24)31-25-26(32-14-18(3)35-19(4)15-32)30-23-9-7-6-8-22(23)29-25/h6-13,16,18-19H,5,14-15H2,1-4H3,(H,29,31)
InChIKeyPPTVVZNPTXFGPQ-UHFFFAOYSA-N
XLogP6.20
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4307057
ethyl 2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 28985089
ethyl 2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 42415918
ethyl 4-(4-methylphenyl)-2-(phenacylamino)thiophene-3-carboxylate
CID 110825140
(1S,6S)-6-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1013009
cis-(1S,2R)-2-[[3-ethoxycarbonyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1013046
ethyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 1276617
ethyl 2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 21230144
ethyl 2-(heptylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 110826907
ethyl 2-(benzoylcarbamothioylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1106438
ethyl 2-(furan-2-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1181756
ethyl 2-(adamantane-1-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 4564812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate (CID 4550358) is ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)cc2)csc1Nc1nc2ccccc2nc1N1CC(C)OC(C)C1.
What is the InChIKey of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
The InChIKey is PPTVVZNPTXFGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3S/c1-5-34-28(33)24-21(20-12-10-17(2)11-13-20)16-36-27(24)31-25-26(32-14-18(3)35-19(4)15-32)30-23-9-7-6-8-22(23)29-25/h6-13,16,18-19H,5,14-15H2,1-4H3,(H,29,31).
What are the key properties of ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate?
ethyl 2-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate has a molecular weight of 502.64 g/mol, XLogP of 6.20, 6 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-(4-methylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 4550358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).