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

C21H16F3NO2 — CID 17122372

IUPAC4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(F)cc2F)C2=C(CC(c3ccc(F)cc3)CC2=O)N1
InChIInChI=1S/C21H16F3NO2/c22-13-3-1-11(2-4-13)12-7-18-21(19(26)8-12)16(10-20(27)25-18)15-6-5-14(23)9-17(15)24/h1-6,9,12,16H,7-8,10H2,(H,25,27)
InChIKeyWKVWTEXFFVVCRM-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.11
Rot. Bonds2

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

4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 17122372) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID17122372
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(F)cc2F)C2=C(CC(c3ccc(F)cc3)CC2=O)N1
InChIInChI=1S/C21H16F3NO2/c22-13-3-1-11(2-4-13)12-7-18-21(19(26)8-12)16(10-20(27)25-18)15-6-5-14(23)9-17(15)24/h1-6,9,12,16H,7-8,10H2,(H,25,27)
InChIKeyWKVWTEXFFVVCRM-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 17122372) is 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2ccc(F)cc2F)C2=C(CC(c3ccc(F)cc3)CC2=O)N1.
What is the InChIKey of 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is WKVWTEXFFVVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-13-3-1-11(2-4-13)12-7-18-21(19(26)8-12)16(10-20(27)25-18)15-6-5-14(23)9-17(15)24/h1-6,9,12,16H,7-8,10H2,(H,25,27).
What are the key properties of 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 371.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 17122372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).