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

C15H14FNO2 — CID 3162354

IUPAC4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(F)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H14FNO2/c16-10-6-4-9(5-7-10)11-8-14(19)17-12-2-1-3-13(18)15(11)12/h4-7,11H,1-3,8H2,(H,17,19)
InChIKeySTNUVBKFXRNDDS-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.44
Rot. Bonds1

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

4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (PubChem CID 3162354) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
PubChem CID3162354
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
SMILESO=C1CC(c2ccc(F)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C15H14FNO2/c16-10-6-4-9(5-7-10)11-8-14(19)17-12-2-1-3-13(18)15(11)12/h4-7,11H,1-3,8H2,(H,17,19)
InChIKeySTNUVBKFXRNDDS-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The IUPAC name of 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione (CID 3162354) is 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The canonical SMILES for 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is O=C1CC(c2ccc(F)cc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
The InChIKey is STNUVBKFXRNDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-10-6-4-9(5-7-10)11-8-14(19)17-12-2-1-3-13(18)15(11)12/h4-7,11H,1-3,8H2,(H,17,19).
What are the key properties of 4-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione?
4-(4-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-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione is sourced from PubChem (CID 3162354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).