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

C21H17F2NO2 — CID 4043316

IUPAC1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccc(F)cc1F
InChIInChI=1S/C21H17F2NO2/c22-14-9-10-17(16(23)11-14)24-18-7-4-8-19(25)21(18)15(12-20(24)26)13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2
InChIKeyVGIZOWKLYOGKOD-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.49
Rot. Bonds2

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

1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 4043316) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID4043316
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC Name1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccc(F)cc1F
InChIInChI=1S/C21H17F2NO2/c22-14-9-10-17(16(23)11-14)24-18-7-4-8-19(25)21(18)15(12-20(24)26)13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2
InChIKeyVGIZOWKLYOGKOD-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 4043316) is 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is VGIZOWKLYOGKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-14-9-10-17(16(23)11-14)24-18-7-4-8-19(25)21(18)15(12-20(24)26)13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2.
What are the key properties of 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 353.37 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 4043316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).