7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

C25H20FN3O2 — CID 71149584

IUPAC7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2OCc2ccc(F)nc2)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C25H20FN3O2/c26-23-11-8-17(14-27-23)16-31-22-7-3-5-19-15-29(25(30)24(19)22)13-12-20-10-9-18-4-1-2-6-21(18)28-20/h1-11,14H,12-13,15-16H2
InChIKeyCHBVKNNBLITQGG-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.55
Rot. Bonds6

About 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149584) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149584
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2OCc2ccc(F)nc2)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C25H20FN3O2/c26-23-11-8-17(14-27-23)16-31-22-7-3-5-19-15-29(25(30)24(19)22)13-12-20-10-9-18-4-1-2-6-21(18)28-20/h1-11,14H,12-13,15-16H2
InChIKeyCHBVKNNBLITQGG-UHFFFAOYSA-N
XLogP4.55
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149236
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-(4-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71150097
7-(3-fluoro-5-methoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149822
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149153
7-(6-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149812
7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149442
7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149578
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204

Frequently Asked Questions

What is the IUPAC name of 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149584) is 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is O=C1c2c(cccc2OCc2ccc(F)nc2)CN1CCc1ccc2ccccc2n1.
What is the InChIKey of 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is CHBVKNNBLITQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c26-23-11-8-17(14-27-23)16-31-22-7-3-5-19-15-29(25(30)24(19)22)13-12-20-10-9-18-4-1-2-6-21(18)28-20/h1-11,14H,12-13,15-16H2.
What are the key properties of 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 413.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-fluoro-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).