N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide

C16H21FN2O3S — CID 30670055

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCCc2cccc(F)c21)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21FN2O3S/c1-18(13-7-9-23(21,22)11-13)15(20)10-19-8-3-5-12-4-2-6-14(17)16(12)19/h2,4,6,13H,3,5,7-11H2,1H3/t13-/m0/s1
InChIKeyCZCFIOLVLKIBER-ZDUSSCGKSA-N
MW340.42 g/mol
LogP1.22
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide (PubChem CID 30670055) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
PubChem CID30670055
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCCc2cccc(F)c21)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21FN2O3S/c1-18(13-7-9-23(21,22)11-13)15(20)10-19-8-3-5-12-4-2-6-14(17)16(12)19/h2,4,6,13H,3,5,7-11H2,1H3/t13-/m0/s1
InChIKeyCZCFIOLVLKIBER-ZDUSSCGKSA-N
XLogP1.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689904
N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 113201654
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 124730939
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 6599763
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 46541644
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18152364
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755800
N-(1,1-dioxothiolan-3-yl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 108989408
N-(1,1-dioxothiolan-3-yl)-3-(4-fluoroanilino)-N-methylpropanamide
CID 109026637
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methylamino]-N-methylacetamide
CID 108997717
N'-(1,1-dioxothiolan-3-yl)-N-(3-fluorophenyl)-N'-methylpropanediamide
CID 108949267
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523853

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide (CID 30670055) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide is CN(C(=O)CN1CCCc2cccc(F)c21)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
The InChIKey is CZCFIOLVLKIBER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-18(13-7-9-23(21,22)11-13)15(20)10-19-8-3-5-12-4-2-6-14(17)16(12)19/h2,4,6,13H,3,5,7-11H2,1H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide has a molecular weight of 340.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide is sourced from PubChem (CID 30670055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).