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

C24H15F2N3O2 — CID 58318633

IUPAC2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ncccc2nc1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H15F2N3O2/c1-13(29-23(30)17-5-2-3-6-18(17)24(29)31)19-12-21-20(7-4-8-27-21)28-22(19)14-9-15(25)11-16(26)10-14/h2-13H,1H3
InChIKeyGSKLOHUAIVXSAL-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.93
Rot. Bonds3

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

2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 58318633) has the molecular formula C24H15F2N3O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID58318633
Molecular FormulaC24H15F2N3O2
Molecular Weight415.40 g/mol
Exact Mass415.11
IUPAC Name2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ncccc2nc1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H15F2N3O2/c1-13(29-23(30)17-5-2-3-6-18(17)24(29)31)19-12-21-20(7-4-8-27-21)28-22(19)14-9-15(25)11-16(26)10-14/h2-13H,1H3
InChIKeyGSKLOHUAIVXSAL-UHFFFAOYSA-N
XLogP4.93
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.93
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-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione (CID 58318633) is 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione is CC(c1cc2ncccc2nc1-c1cc(F)cc(F)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is GSKLOHUAIVXSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O2/c1-13(29-23(30)17-5-2-3-6-18(17)24(29)31)19-12-21-20(7-4-8-27-21)28-22(19)14-9-15(25)11-16(26)10-14/h2-13H,1H3.
What are the key properties of 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 415.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 58318633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).