8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide

C16H14N2O2S — CID 3217707

IUPAC8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12
InChIInChI=1S/C16H14N2O2S/c1-10-4-2-6-12-14(10)17-9-13(15(12)19)16(20)18-8-11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyOVNCAFDODNCKSY-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds3

About 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide

8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 3217707) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID3217707
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12
InChIInChI=1S/C16H14N2O2S/c1-10-4-2-6-12-14(10)17-9-13(15(12)19)16(20)18-8-11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyOVNCAFDODNCKSY-UHFFFAOYSA-N
XLogP2.83
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide (CID 3217707) is 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide is Cc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12.
What is the InChIKey of 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is OVNCAFDODNCKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-4-2-6-12-14(10)17-9-13(15(12)19)16(20)18-8-11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide?
8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).