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

C19H15F2NO2S — CID 3309722

IUPAC1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1cccs1)CC(=O)N2c1ccc(F)cc1F
InChIInChI=1S/C19H15F2NO2S/c20-11-6-7-14(13(21)9-11)22-15-3-1-4-16(23)19(15)12(10-18(22)24)17-5-2-8-25-17/h2,5-9,12H,1,3-4,10H2
InChIKeyREORMCGSPXGBLL-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.55
Rot. Bonds2

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

1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 3309722) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID3309722
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1cccs1)CC(=O)N2c1ccc(F)cc1F
InChIInChI=1S/C19H15F2NO2S/c20-11-6-7-14(13(21)9-11)22-15-3-1-4-16(23)19(15)12(10-18(22)24)17-5-2-8-25-17/h2,5-9,12H,1,3-4,10H2
InChIKeyREORMCGSPXGBLL-UHFFFAOYSA-N
XLogP4.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 3309722) is 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1cccs1)CC(=O)N2c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is REORMCGSPXGBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-11-6-7-14(13(21)9-11)22-15-3-1-4-16(23)19(15)12(10-18(22)24)17-5-2-8-25-17/h2,5-9,12H,1,3-4,10H2.
What are the key properties of 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 359.40 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 3309722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).