[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C19H19N3O5S — CID 4855505

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C19H19N3O5S/c1-19(2)18(26)21-12-6-3-4-7-13(12)22(19)15(23)11-27-16(24)10-20-17(25)14-8-5-9-28-14/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyFAYNTCLCBWHLAV-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.78
Rot. Bonds5

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 4855505) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID4855505
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C19H19N3O5S/c1-19(2)18(26)21-12-6-3-4-7-13(12)22(19)15(23)11-27-16(24)10-20-17(25)14-8-5-9-28-14/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyFAYNTCLCBWHLAV-UHFFFAOYSA-N
XLogP1.78
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate with MolForge

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Related Compounds

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751562
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 2474950
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587453
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-bromobenzoate
CID 16539809
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-2-carboxylate
CID 2547008
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808159
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 6213330
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7400999
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 41001150
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11908233
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 16522438

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 4855505) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is FAYNTCLCBWHLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-19(2)18(26)21-12-6-3-4-7-13(12)22(19)15(23)11-27-16(24)10-20-17(25)14-8-5-9-28-14/h3-9H,10-11H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 401.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 4855505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).