[1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite

C25H19FN2O3 — CID 144672589

IUPAC[1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite
SMILESO=C(Cc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1CCc2ccc(OF)cc21
InChIInChI=1S/C25H19FN2O3/c26-31-19-10-9-18-11-12-28(23(18)14-19)24(29)13-16-5-7-17(8-6-16)22-15-27-25(30)21-4-2-1-3-20(21)22/h1-10,14-15H,11-13H2,(H,27,30)
InChIKeyGCNADVGFOMEQHB-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.59
Rot. Bonds4

About [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite

[1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite (PubChem CID 144672589) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite.

Molecular Properties

Compound Name[1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite
PubChem CID144672589
Molecular FormulaC25H19FN2O3
Molecular Weight414.44 g/mol
Exact Mass414.14
IUPAC Name[1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite
SMILESO=C(Cc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1CCc2ccc(OF)cc21
InChIInChI=1S/C25H19FN2O3/c26-31-19-10-9-18-11-12-28(23(18)14-19)24(29)13-16-5-7-17(8-6-16)22-15-27-25(30)21-4-2-1-3-20(21)22/h1-10,14-15H,11-13H2,(H,27,30)
InChIKeyGCNADVGFOMEQHB-UHFFFAOYSA-N
XLogP4.59
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite?
The IUPAC name of [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite (CID 144672589) is [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite.
What is the SMILES notation for [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite?
The canonical SMILES for [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite is O=C(Cc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1CCc2ccc(OF)cc21.
What is the InChIKey of [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite?
The InChIKey is GCNADVGFOMEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3/c26-31-19-10-9-18-11-12-28(23(18)14-19)24(29)13-16-5-7-17(8-6-16)22-15-27-25(30)21-4-2-1-3-20(21)22/h1-10,14-15H,11-13H2,(H,27,30).
What are the key properties of [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite?
[1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite has a molecular weight of 414.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite is sourced from PubChem (CID 144672589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).