2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione

C24H16FN3O2 — CID 58318641

IUPAC2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ncccc2nc1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H16FN3O2/c1-14(28-23(29)17-8-2-3-9-18(17)24(28)30)19-13-21-20(10-5-11-26-21)27-22(19)15-6-4-7-16(25)12-15/h2-14H,1H3
InChIKeyJESKZZQLUDYCDH-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.79
Rot. Bonds3

About 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione

2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 58318641) has the molecular formula C24H16FN3O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID58318641
Molecular FormulaC24H16FN3O2
Molecular Weight397.41 g/mol
Exact Mass397.12
IUPAC Name2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ncccc2nc1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H16FN3O2/c1-14(28-23(29)17-8-2-3-9-18(17)24(28)30)19-13-21-20(10-5-11-26-21)27-22(19)15-6-4-7-16(25)12-15/h2-14H,1H3
InChIKeyJESKZZQLUDYCDH-UHFFFAOYSA-N
XLogP4.79
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione (CID 58318641) is 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione is CC(c1cc2ncccc2nc1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is JESKZZQLUDYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O2/c1-14(28-23(29)17-8-2-3-9-18(17)24(28)30)19-13-21-20(10-5-11-26-21)27-22(19)15-6-4-7-16(25)12-15/h2-14H,1H3.
What are the key properties of 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 397.41 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 58318641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).