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

C21H17F2NO2 — CID 6621608

IUPAC4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2F)C2=C(CC(c3ccc(F)cc3)CC2=O)N1
InChIInChI=1S/C21H17F2NO2/c22-14-7-5-12(6-8-14)13-9-18-21(19(25)10-13)16(11-20(26)24-18)15-3-1-2-4-17(15)23/h1-8,13,16H,9-11H2,(H,24,26)
InChIKeySICBPJSPPOLFLU-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.97
Rot. Bonds2

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

4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 6621608) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID6621608
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC Name4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccccc2F)C2=C(CC(c3ccc(F)cc3)CC2=O)N1
InChIInChI=1S/C21H17F2NO2/c22-14-7-5-12(6-8-14)13-9-18-21(19(25)10-13)16(11-20(26)24-18)15-3-1-2-4-17(15)23/h1-8,13,16H,9-11H2,(H,24,26)
InChIKeySICBPJSPPOLFLU-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 6621608) is 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2ccccc2F)C2=C(CC(c3ccc(F)cc3)CC2=O)N1.
What is the InChIKey of 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is SICBPJSPPOLFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-14-7-5-12(6-8-14)13-9-18-21(19(25)10-13)16(11-20(26)24-18)15-3-1-2-4-17(15)23/h1-8,13,16H,9-11H2,(H,24,26).
What are the key properties of 4-(2-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2-fluorophenyl)-7-(4-fluorophenyl)-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-fluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 6621608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).