N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H19FN2O4S — CID 70752414

IUPACN-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C(=O)C1CC(=O)Nc2ccc(F)cc21)C1CCS(=O)(=O)CC1
InChIInChI=1S/C16H19FN2O4S/c1-19(11-4-6-24(22,23)7-5-11)16(21)13-9-15(20)18-14-3-2-10(17)8-12(13)14/h2-3,8,11,13H,4-7,9H2,1H3,(H,18,20)
InChIKeyBPOZUAHIWBRYPC-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.29
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 70752414) has the molecular formula C16H19FN2O4S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID70752414
Molecular FormulaC16H19FN2O4S
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC NameN-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C(=O)C1CC(=O)Nc2ccc(F)cc21)C1CCS(=O)(=O)CC1
InChIInChI=1S/C16H19FN2O4S/c1-19(11-4-6-24(22,23)7-5-11)16(21)13-9-15(20)18-14-3-2-10(17)8-12(13)14/h2-3,8,11,13H,4-7,9H2,1H3,(H,18,20)
InChIKeyBPOZUAHIWBRYPC-UHFFFAOYSA-N
XLogP1.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97146681
(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97126877
(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97149530
N-methyl-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119553909
(4S)-6-fluoro-N-(isoquinolin-5-ylmethyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97131542
N-ethyl-7-fluoro-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24657368
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
CID 95784529
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 131942232
6-fluoro-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70764704
7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119530758
5-amino-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82401386
N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46588673

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 70752414) is N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CN(C(=O)C1CC(=O)Nc2ccc(F)cc21)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is BPOZUAHIWBRYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S/c1-19(11-4-6-24(22,23)7-5-11)16(21)13-9-15(20)18-14-3-2-10(17)8-12(13)14/h2-3,8,11,13H,4-7,9H2,1H3,(H,18,20).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 70752414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).