4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one

C19H19FN2O2 — CID 10592220

IUPAC4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3CCc4ccccc4C3)ccc(F)c2N1
InChIInChI=1S/C19H19FN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23)
InChIKeyUFPMVMHWBPUCTK-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.76
Rot. Bonds4

About 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one

4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 10592220) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
PubChem CID10592220
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3CCc4ccccc4C3)ccc(F)c2N1
InChIInChI=1S/C19H19FN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23)
InChIKeyUFPMVMHWBPUCTK-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one (CID 10592220) is 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one is O=C1Cc2c(OCCN3CCc4ccccc4C3)ccc(F)c2N1.
What is the InChIKey of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is UFPMVMHWBPUCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23).
What are the key properties of 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one?
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 326.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 10592220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).