2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione

C25H15F3N2O2 — CID 67516074

IUPAC2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cnc2c(F)cccc2c1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H15F3N2O2/c1-13(30-24(31)17-5-2-3-6-18(17)25(30)32)20-12-29-23-19(7-4-8-21(23)28)22(20)14-9-15(26)11-16(27)10-14/h2-13H,1H3
InChIKeyYXRZVKZOKNNXBH-UHFFFAOYSA-N
MW432.40 g/mol
LogP5.68
Rot. Bonds3

About 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione

2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 67516074) has the molecular formula C25H15F3N2O2 and a molecular weight of 432.40 g/mol. Its IUPAC name is 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID67516074
Molecular FormulaC25H15F3N2O2
Molecular Weight432.40 g/mol
Exact Mass432.11
IUPAC Name2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cnc2c(F)cccc2c1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H15F3N2O2/c1-13(30-24(31)17-5-2-3-6-18(17)25(30)32)20-12-29-23-19(7-4-8-21(23)28)22(20)14-9-15(26)11-16(27)10-14/h2-13H,1H3
InChIKeyYXRZVKZOKNNXBH-UHFFFAOYSA-N
XLogP5.68
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione (CID 67516074) is 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione is CC(c1cnc2c(F)cccc2c1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YXRZVKZOKNNXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N2O2/c1-13(30-24(31)17-5-2-3-6-18(17)25(30)32)20-12-29-23-19(7-4-8-21(23)28)22(20)14-9-15(26)11-16(27)10-14/h2-13H,1H3.
What are the key properties of 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione?
2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 432.40 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 67516074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).