N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide

C22H19FN2O3S — CID 55891421

IUPACN-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1CCc2cc(OCC(=O)N(Cc3cccs3)c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C22H19FN2O3S/c23-16-4-6-17(7-5-16)25(13-19-2-1-11-29-19)22(27)14-28-18-8-9-20-15(12-18)3-10-21(26)24-20/h1-2,4-9,11-12H,3,10,13-14H2,(H,24,26)
InChIKeyKLUNRKNQBSGHEP-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.38
Rot. Bonds6

About N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide

N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55891421) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55891421
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC NameN-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1CCc2cc(OCC(=O)N(Cc3cccs3)c3ccc(F)cc3)ccc2N1
InChIInChI=1S/C22H19FN2O3S/c23-16-4-6-17(7-5-16)25(13-19-2-1-11-29-19)22(27)14-28-18-8-9-20-15(12-18)3-10-21(26)24-20/h1-2,4-9,11-12H,3,10,13-14H2,(H,24,26)
InChIKeyKLUNRKNQBSGHEP-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47023284
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103126
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
N-(2,5-difluorophenyl)sulfonyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 71894484
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-methyl-N-(4-methylcyclohexyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 32919288
N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 15572886
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 9268063

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide (CID 55891421) is N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide is O=C1CCc2cc(OCC(=O)N(Cc3cccs3)c3ccc(F)cc3)ccc2N1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KLUNRKNQBSGHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c23-16-4-6-17(7-5-16)25(13-19-2-1-11-29-19)22(27)14-28-18-8-9-20-15(12-18)3-10-21(26)24-20/h1-2,4-9,11-12H,3,10,13-14H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55891421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).