8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide

C17H15FN2O2S — CID 43831713

IUPAC8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCc2cccs2)c(=O)c2cccc(F)c21
InChIInChI=1S/C17H15FN2O2S/c1-20-10-13(16(21)12-5-2-6-14(18)15(12)20)17(22)19-8-7-11-4-3-9-23-11/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyAEMDKKYYXBSIED-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.71
Rot. Bonds4

About 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide

8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide (PubChem CID 43831713) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
PubChem CID43831713
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCc2cccs2)c(=O)c2cccc(F)c21
InChIInChI=1S/C17H15FN2O2S/c1-20-10-13(16(21)12-5-2-6-14(18)15(12)20)17(22)19-8-7-11-4-3-9-23-11/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyAEMDKKYYXBSIED-UHFFFAOYSA-N
XLogP2.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 43832085
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
4-methoxy-1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 91813994
6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 39851344
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 56764415
8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807888
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide (CID 43831713) is 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide is Cn1cc(C(=O)NCCc2cccs2)c(=O)c2cccc(F)c21.
What is the InChIKey of 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
The InChIKey is AEMDKKYYXBSIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-20-10-13(16(21)12-5-2-6-14(18)15(12)20)17(22)19-8-7-11-4-3-9-23-11/h2-6,9-10H,7-8H2,1H3,(H,19,22).
What are the key properties of 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 43831713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).