6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide

C18H17ClN2O2S — CID 39851344

IUPAC6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2cccs2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O2S/c1-2-21-11-15(17(22)14-10-12(19)5-6-16(14)21)18(23)20-8-7-13-4-3-9-24-13/h3-6,9-11H,2,7-8H2,1H3,(H,20,23)
InChIKeyLHNAYVZZBGMWND-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.71
Rot. Bonds5

About 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide

6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide (PubChem CID 39851344) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
PubChem CID39851344
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2cccs2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C18H17ClN2O2S/c1-2-21-11-15(17(22)14-10-12(19)5-6-16(14)21)18(23)20-8-7-13-4-3-9-24-13/h3-6,9-11H,2,7-8H2,1H3,(H,20,23)
InChIKeyLHNAYVZZBGMWND-UHFFFAOYSA-N
XLogP3.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
5-chloro-1,3-dimethyl-N-(2-thiophen-2-ylethyl)indole-2-carboxamide
CID 16646005
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 43831713
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463999
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
4-methoxy-1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 91813994

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide (CID 39851344) is 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCCc2cccs2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
The InChIKey is LHNAYVZZBGMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-2-21-11-15(17(22)14-10-12(19)5-6-16(14)21)18(23)20-8-7-13-4-3-9-24-13/h3-6,9-11H,2,7-8H2,1H3,(H,20,23).
What are the key properties of 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide?
6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide has a molecular weight of 360.87 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 39851344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).