N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide

C17H19FN2O4S — CID 110674051

IUPACN-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cc2cc(F)ccc2[nH]c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19FN2O4S/c1-20(14-6-7-25(23,24)10-14)16(21)5-2-11-8-12-9-13(18)3-4-15(12)19-17(11)22/h3-4,8-9,14H,2,5-7,10H2,1H3,(H,19,22)
InChIKeyFNCCFIFAUHACGX-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.25
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide

N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide (PubChem CID 110674051) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
PubChem CID110674051
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cc2cc(F)ccc2[nH]c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19FN2O4S/c1-20(14-6-7-25(23,24)10-14)16(21)5-2-11-8-12-9-13(18)3-4-15(12)19-17(11)22/h3-4,8-9,14H,2,5-7,10H2,1H3,(H,19,22)
InChIKeyFNCCFIFAUHACGX-UHFFFAOYSA-N
XLogP1.25
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
CID 109026637
N-(1,1-dioxothiolan-3-yl)-3-[2-(4-fluorophenyl)ethylamino]-N-methylpropanamide
CID 109025084
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 51929356
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
3-(3,5-dioxopyrazolidin-4-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110703679
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755800
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 110852886
3-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 77095376
2-(2-chloro-4-fluorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17438542
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-methylacetamide
CID 113151002
3-(2,5-dimethylpyrrol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110688958
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-methylpropanamide
CID 40947046

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide (CID 110674051) is N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide is CN(C(=O)CCc1cc2cc(F)ccc2[nH]c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
The InChIKey is FNCCFIFAUHACGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-20(14-6-7-25(23,24)10-14)16(21)5-2-11-8-12-9-13(18)3-4-15(12)19-17(11)22/h3-4,8-9,14H,2,5-7,10H2,1H3,(H,19,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide?
N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide has a molecular weight of 366.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 110674051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).