4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C15H16N2O2S — CID 18427609

IUPAC4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccs1)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C15H16N2O2S/c18-14-11-5-1-2-6-13(11)16-9-12(14)15(19)17-8-10-4-3-7-20-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyASQCYFPEGYOLMZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.25
Rot. Bonds3

About 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 18427609) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID18427609
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccs1)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C15H16N2O2S/c18-14-11-5-1-2-6-13(11)16-9-12(14)15(19)17-8-10-4-3-7-20-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyASQCYFPEGYOLMZ-UHFFFAOYSA-N
XLogP2.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 18427609) is 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCc1cccs1)c1c[nH]c2c(c1=O)CCCC2.
What is the InChIKey of 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is ASQCYFPEGYOLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14-11-5-1-2-6-13(11)16-9-12(14)15(19)17-8-10-4-3-7-20-10/h3-4,7,9H,1-2,5-6,8H2,(H,16,18)(H,17,19).
What are the key properties of 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18427609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).