2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one

C14H13FN2O4S — CID 74238408

IUPAC2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cccc(F)c2[nH]1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H13FN2O4S/c15-10-3-1-2-9-12(18)8-11(16-13(9)10)14(19)17-4-6-22(20,21)7-5-17/h1-3,8H,4-7H2,(H,16,18)
InChIKeyURIJWVFSJFGHMW-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.54
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one

2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one (PubChem CID 74238408) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one
PubChem CID74238408
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Name2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2cccc(F)c2[nH]1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H13FN2O4S/c15-10-3-1-2-9-12(18)8-11(16-13(9)10)14(19)17-4-6-22(20,21)7-5-17/h1-3,8H,4-7H2,(H,16,18)
InChIKeyURIJWVFSJFGHMW-UHFFFAOYSA-N
XLogP0.54
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 138381000
8-fluoro-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]-1H-quinolin-4-one
CID 135099621
2-[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 134699805
5-(8-fluoro-4-oxo-1H-quinoline-2-carbonyl)-N,N-dimethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 134127414
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 84583540
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014
(2,3-difluorophenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 113234293
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(2-fluorophenyl)phenyl]methanone
CID 131950577
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
CID 74232796
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one (CID 74238408) is 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one is O=C(c1cc(=O)c2cccc(F)c2[nH]1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one?
The InChIKey is URIJWVFSJFGHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c15-10-3-1-2-9-12(18)8-11(16-13(9)10)14(19)17-4-6-22(20,21)7-5-17/h1-3,8H,4-7H2,(H,16,18).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one?
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one has a molecular weight of 324.33 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-8-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 74238408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).