methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate

C17H15N3O3S — CID 53323911

IUPACmethyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1cccc2nccnc12
InChIInChI=1S/C17H15N3O3S/c1-10-9-24-16(14(10)17(22)23-2)20-13(21)8-11-4-3-5-12-15(11)19-7-6-18-12/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyPNTONLVXRZCBPB-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.97
Rot. Bonds4

About methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate

methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 53323911) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID53323911
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Namemethyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)Cc1cccc2nccnc12
InChIInChI=1S/C17H15N3O3S/c1-10-9-24-16(14(10)17(22)23-2)20-13(21)8-11-4-3-5-12-15(11)19-7-6-18-12/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyPNTONLVXRZCBPB-UHFFFAOYSA-N
XLogP2.97
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate (CID 53323911) is methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate is COC(=O)c1c(C)csc1NC(=O)Cc1cccc2nccnc12.
What is the InChIKey of methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is PNTONLVXRZCBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-10-9-24-16(14(10)17(22)23-2)20-13(21)8-11-4-3-5-12-15(11)19-7-6-18-12/h3-7,9H,8H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate?
methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-quinoxalin-5-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 53323911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).