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

C17H20N2O2S — CID 51055031

IUPAC6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)NCCc3cccs3)cc2C1
InChIInChI=1S/C17H20N2O2S/c1-11-4-5-15-12(9-11)10-14(17(21)19-15)16(20)18-7-6-13-3-2-8-22-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyRZFREKFSIJHPPE-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.53
Rot. Bonds4

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

6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51055031) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51055031
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1CCc2[nH]c(=O)c(C(=O)NCCc3cccs3)cc2C1
InChIInChI=1S/C17H20N2O2S/c1-11-4-5-15-12(9-11)10-14(17(21)19-15)16(20)18-7-6-13-3-2-8-22-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyRZFREKFSIJHPPE-UHFFFAOYSA-N
XLogP2.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51055031) is 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1CCc2[nH]c(=O)c(C(=O)NCCc3cccs3)cc2C1.
What is the InChIKey of 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is RZFREKFSIJHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-4-5-15-12(9-11)10-14(17(21)19-15)16(20)18-7-6-13-3-2-8-22-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51055031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).