1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone

C22H20N2O2 — CID 70665375

IUPAC1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CNC3)c1
InChIInChI=1S/C22H20N2O2/c1-15(25)16-7-8-22(26-14-20-4-2-3-9-24-20)21(11-16)17-5-6-18-12-23-13-19(18)10-17/h2-11,23H,12-14H2,1H3
InChIKeyNLUNGLDSYCZLSZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.13
Rot. Bonds5

About 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone

1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone (PubChem CID 70665375) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone
PubChem CID70665375
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CNC3)c1
InChIInChI=1S/C22H20N2O2/c1-15(25)16-7-8-22(26-14-20-4-2-3-9-24-20)21(11-16)17-5-6-18-12-23-13-19(18)10-17/h2-11,23H,12-14H2,1H3
InChIKeyNLUNGLDSYCZLSZ-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone (CID 70665375) is 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone is CC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CNC3)c1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone?
The InChIKey is NLUNGLDSYCZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15(25)16-7-8-22(26-14-20-4-2-3-9-24-20)21(11-16)17-5-6-18-12-23-13-19(18)10-17/h2-11,23H,12-14H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone?
1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone has a molecular weight of 344.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-isoindol-5-yl)-4-(pyridin-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 70665375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).