2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone

C21H18N2O2 — CID 39299774

IUPAC2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2cccnc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21(23-13-11-17-5-1-2-6-20(17)23)18-7-9-19(10-8-18)25-15-16-4-3-12-22-14-16/h1-10,12,14H,11,13,15H2
InChIKeyMKLPQMZMSDGIQI-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.86
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone

2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 39299774) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID39299774
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2cccnc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H18N2O2/c24-21(23-13-11-17-5-1-2-6-20(17)23)18-7-9-19(10-8-18)25-15-16-4-3-12-22-14-16/h1-10,12,14H,11,13,15H2
InChIKeyMKLPQMZMSDGIQI-UHFFFAOYSA-N
XLogP3.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone (CID 39299774) is 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone is O=C(c1ccc(OCc2cccnc2)cc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is MKLPQMZMSDGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(23-13-11-17-5-1-2-6-20(17)23)18-7-9-19(10-8-18)25-15-16-4-3-12-22-14-16/h1-10,12,14H,11,13,15H2.
What are the key properties of 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone?
2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 330.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 39299774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).