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

C15H14FNO2 — CID 3162373

IUPAC4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2cccc(F)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H14FNO2/c16-10-4-1-3-9(7-10)11-8-14(19)17-12-5-2-6-13(18)15(11)12/h1,3-4,7,11H,2,5-6,8H2,(H,17,19)
InChIKeyOREIGNKBXRWGNP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.44
Rot. Bonds1

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

4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 3162373) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID3162373
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2cccc(F)c2)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H14FNO2/c16-10-4-1-3-9(7-10)11-8-14(19)17-12-5-2-6-13(18)15(11)12/h1,3-4,7,11H,2,5-6,8H2,(H,17,19)
InChIKeyOREIGNKBXRWGNP-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-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

Related Compounds

5-acetyl-4-(4-fluorophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 3753346
8-fluoro-1,4,5,6-tetrahydrobenzo[f]quinolin-3(2H)-one
CID 11820650
2,4,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 322615
4-(3-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 2997107
4-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 3162354
4-(2-Methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 3162372
4-(3-Bromophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 3241246
4-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17122372
7-Fluoro-1,4,5,6-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10330957
10-Fluoro-1,4,5,6-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10376044
3,3,6,6-Tetramethyl-9-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 623300
3,3,6,6-Tetramethyl-9-p-tolyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
CID 985441

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 3162373) is 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2cccc(F)c2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is OREIGNKBXRWGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-10-4-1-3-9(7-10)11-8-14(19)17-12-5-2-6-13(18)15(11)12/h1,3-4,7,11H,2,5-6,8H2,(H,17,19).
What are the key properties of 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione has a molecular weight of 259.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 3162373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).