methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate

C18H19N3O4S — CID 2896625

IUPACmethyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CC2Nc3ccccc3NC2=O)sc(C)c1C
InChIInChI=1S/C18H19N3O4S/c1-9-10(2)26-17(15(9)18(24)25-3)21-14(22)8-13-16(23)20-12-7-5-4-6-11(12)19-13/h4-7,13,19H,8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOIDDOXKDCRQUHP-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.91
Rot. Bonds4

About methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate

methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 2896625) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID2896625
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Namemethyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)CC2Nc3ccccc3NC2=O)sc(C)c1C
InChIInChI=1S/C18H19N3O4S/c1-9-10(2)26-17(15(9)18(24)25-3)21-14(22)8-13-16(23)20-12-7-5-4-6-11(12)19-13/h4-7,13,19H,8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOIDDOXKDCRQUHP-UHFFFAOYSA-N
XLogP2.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate (CID 2896625) is methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)CC2Nc3ccccc3NC2=O)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is OIDDOXKDCRQUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-9-10(2)26-17(15(9)18(24)25-3)21-14(22)8-13-16(23)20-12-7-5-4-6-11(12)19-13/h4-7,13,19H,8H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2896625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).