4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

C21H17F2NO2 — CID 17061732

IUPAC4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2cc(F)ccc2F)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C21H17F2NO2/c22-14-6-7-17(23)15(10-14)16-11-20(26)24-18-8-13(9-19(25)21(16)18)12-4-2-1-3-5-12/h1-7,10,13,16H,8-9,11H2,(H,24,26)
InChIKeyYFQNKVSVYZYOHN-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.97
Rot. Bonds2

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

4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17061732) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17061732
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC Name4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2cc(F)ccc2F)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C21H17F2NO2/c22-14-6-7-17(23)15(10-14)16-11-20(26)24-18-8-13(9-19(25)21(16)18)12-4-2-1-3-5-12/h1-7,10,13,16H,8-9,11H2,(H,24,26)
InChIKeyYFQNKVSVYZYOHN-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione with MolForge

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Related Compounds

(4R,7S)-7-(4-fluorophenyl)-4-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645073
4-(2,5-difluorophenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17061251
(4R,7S)-4,7-diphenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 872442
(6R,9S)-6-(2,5-difluorophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1039596
7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060583
(4R,7R)-4-(2,4-difluorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645421
(4R,7R)-4-(4-ethylphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413264
7-(2-chlorophenyl)-4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060707
4-(3-fluorophenyl)-7-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17060683
(4S,7S)-4-(2,4-difluorophenyl)-7-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645428
4-(2,4-difluorophenyl)-7-(3,4-dimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17122375
(4R,7R)-7-phenyl-4-(2,3,4-trimethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7444228

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17061732) is 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2cc(F)ccc2F)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is YFQNKVSVYZYOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-14-6-7-17(23)15(10-14)16-11-20(26)24-18-8-13(9-19(25)21(16)18)12-4-2-1-3-5-12/h1-7,10,13,16H,8-9,11H2,(H,24,26).
What are the key properties of 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 353.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17061732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).