6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

C22H17FN2OS — CID 42750181

IUPAC6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)nc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C22H17FN2OS/c1-14(15-6-3-2-4-7-15)24-22(26)18-13-20(21-8-5-11-27-21)25-19-10-9-16(23)12-17(18)19/h2-14H,1H3,(H,24,26)
InChIKeyHKZSBSXWUNKZII-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.59
Rot. Bonds4

About 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 42750181) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID42750181
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)nc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C22H17FN2OS/c1-14(15-6-3-2-4-7-15)24-22(26)18-13-20(21-8-5-11-27-21)25-19-10-9-16(23)12-17(18)19/h2-14H,1H3,(H,24,26)
InChIKeyHKZSBSXWUNKZII-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 93097670
N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 7296623
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
CID 16574185
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 155549517
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749878
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
(6-fluoro-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
CID 1166469
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 42750181) is 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is CC(NC(=O)c1cc(-c2cccs2)nc2ccc(F)cc12)c1ccccc1.
What is the InChIKey of 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is HKZSBSXWUNKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-14(15-6-3-2-4-7-15)24-22(26)18-13-20(21-8-5-11-27-21)25-19-10-9-16(23)12-17(18)19/h2-14H,1H3,(H,24,26).
What are the key properties of 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 42750181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).