[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C17H13N3O5S — CID 8789436

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13N3O5S/c18-15(23)10-5-6-26-16(10)20-14(22)8-25-17(24)11-7-13(21)19-12-4-2-1-3-9(11)12/h1-7H,8H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyZQTYUVBGOIRHGW-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.48
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 8789436) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID8789436
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H13N3O5S/c18-15(23)10-5-6-26-16(10)20-14(22)8-25-17(24)11-7-13(21)19-12-4-2-1-3-9(11)12/h1-7H,8H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyZQTYUVBGOIRHGW-UHFFFAOYSA-N
XLogP1.48
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 8789436) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ZQTYUVBGOIRHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S/c18-15(23)10-5-6-26-16(10)20-14(22)8-25-17(24)11-7-13(21)19-12-4-2-1-3-9(11)12/h1-7H,8H2,(H2,18,23)(H,19,21)(H,20,22).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 371.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 8789436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).