N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H19FN2O4S — CID 170637751

IUPACN-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC/C=C/S(=O)(=O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H19FN2O4S/c20-15-7-2-4-9-17(15)27(25,26)11-5-10-21-18(23)14-12-13-6-1-3-8-16(13)22-19(14)24/h2,4-5,7,9,11-12H,1,3,6,8,10H2,(H,21,23)(H,22,24)/b11-5+
InChIKeyNIFLTSZHEOTRNF-VZUCSPMQSA-N
MW390.44 g/mol
LogP2.11
Rot. Bonds5

About N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 170637751) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID170637751
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC/C=C/S(=O)(=O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H19FN2O4S/c20-15-7-2-4-9-17(15)27(25,26)11-5-10-21-18(23)14-12-13-6-1-3-8-16(13)22-19(14)24/h2,4-5,7,9,11-12H,1,3,6,8,10H2,(H,21,23)(H,22,24)/b11-5+
InChIKeyNIFLTSZHEOTRNF-VZUCSPMQSA-N
XLogP2.11
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[3-(benzenesulfonyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72046963
3-(4-((4-fluorophenyl)sulfonyl)piperidine-1-carbonyl)-1-methylpyridin-2(1H)-one
CID 73168113
4-fluoro-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 131645543
5-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 134374415
4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 134374481
9b-(4-fluorophenyl)sulfonyl-2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,2-f]quinolin-7-one
CID 134442566
12-(4-Fluorophenyl)sulfonyl-4-methyl-8-(methylsulfonylmethyl)-4,12,16-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),5,8,10-pentaen-3-one
CID 140890490
WRN inhibitor 1
CID 168205631
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-fluoro-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 168205854
N-[(Z)-3-(2-fluorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637772
1,1,1-trifluoropropan-2-yl 3-[[(E)-3-(benzenesulfonyl)prop-2-enyl]carbamoyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
CID 170637773
N-[(E)-3-(2-fluorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637779

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 170637751) is N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NC/C=C/S(=O)(=O)c1ccccc1F)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NIFLTSZHEOTRNF-VZUCSPMQSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c20-15-7-2-4-9-17(15)27(25,26)11-5-10-21-18(23)14-12-13-6-1-3-8-16(13)22-19(14)24/h2,4-5,7,9,11-12H,1,3,6,8,10H2,(H,21,23)(H,22,24)/b11-5+.
What are the key properties of N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 170637751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).