1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C19H16FNO2S — CID 3326392

IUPAC1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1F
InChIInChI=1S/C19H16FNO2S/c20-14-4-1-2-5-15(14)21-16-6-3-7-17(22)19(16)13(10-18(21)23)12-8-9-24-11-12/h1-2,4-5,8-9,11,13H,3,6-7,10H2
InChIKeyRYTIKKALJORDDL-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.41
Rot. Bonds2

About 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 3326392) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID3326392
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1F
InChIInChI=1S/C19H16FNO2S/c20-14-4-1-2-5-15(14)21-16-6-3-7-17(22)19(16)13(10-18(21)23)12-8-9-24-11-12/h1-2,4-5,8-9,11,13H,3,6-7,10H2
InChIKeyRYTIKKALJORDDL-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

7,7-Dimethyl-1-phenyl-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 4543609
N-(3-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2901278
7,7-Dimethyl-1-(4-methylphenyl)-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 3965311
1-(4-fluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3268929
1-phenyl-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 3236214
1-(4-fluorophenyl)-7,7-dimethyl-4-(3-thienyl)-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione
CID 3658297
N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylsulfanyl)-3-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 4101117
N-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 2900686
(2-methyl-5-oxo-4-(2-thienyl)(3-1,4,6,7,8-pentahydroquinolyl))-N-(2-methylphen yl)carboxamide
CID 3142523
N-(2-fluorophenyl)(2-methyl-5-oxo-4-(2-thienyl)(3-1,4,6,7,8-pentahydroquinolyl))carboxamide
CID 3157824
2-Methyl-5-oxo-4-(2-thienyl)-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 3866098
N-(2-Fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(thiophen-3-YL)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 6620698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 3326392) is 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is RYTIKKALJORDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-14-4-1-2-5-15(14)21-16-6-3-7-17(22)19(16)13(10-18(21)23)12-8-9-24-11-12/h1-2,4-5,8-9,11,13H,3,6-7,10H2.
What are the key properties of 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 341.41 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 3326392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).