2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

C16H16N2O3S — CID 51078200

IUPAC2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCCc3ccsc3)cc21
InChIInChI=1S/C16H16N2O3S/c19-14-3-1-2-13-11(14)8-12(16(21)18-13)15(20)17-6-4-10-5-7-22-9-10/h5,7-9H,1-4,6H2,(H,17,20)(H,18,21)
InChIKeyAZZAASUBMLFCBT-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.93
Rot. Bonds4

About 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 51078200) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID51078200
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)NCCc3ccsc3)cc21
InChIInChI=1S/C16H16N2O3S/c19-14-3-1-2-13-11(14)8-12(16(21)18-13)15(20)17-6-4-10-5-7-22-9-10/h5,7-9H,1-4,6H2,(H,17,20)(H,18,21)
InChIKeyAZZAASUBMLFCBT-UHFFFAOYSA-N
XLogP1.93
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 33090929
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51076592
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39888703
N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495547
6-oxo-N-(2-thiophen-3-ylethyl)-1H-pyridine-2-carboxamide
CID 114040347
N-naphthalen-1-yl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 56923268
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71893668
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37423414
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 154748320
N-(2-thiophen-3-ylethyl)-1H-indole-4-carboxamide
CID 60863712

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 51078200) is 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1CCCc2[nH]c(=O)c(C(=O)NCCc3ccsc3)cc21.
What is the InChIKey of 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is AZZAASUBMLFCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-14-3-1-2-13-11(14)8-12(16(21)18-13)15(20)17-6-4-10-5-7-22-9-10/h5,7-9H,1-4,6H2,(H,17,20)(H,18,21).
What are the key properties of 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide?
2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-(2-thiophen-3-ylethyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 51078200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).