3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one

C24H25N3O2 — CID 5329375

IUPAC3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C24H25N3O2/c28-24-20(15-17-6-2-3-7-21(17)26-24)23-16-18-14-19(8-9-22(18)25-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25H,1,4-5,10-13H2,(H,26,28)
InChIKeyIFNGRZXJQFDVBD-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.54
Rot. Bonds5

About 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 5329375) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID5329375
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C24H25N3O2/c28-24-20(15-17-6-2-3-7-21(17)26-24)23-16-18-14-19(8-9-22(18)25-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25H,1,4-5,10-13H2,(H,26,28)
InChIKeyIFNGRZXJQFDVBD-UHFFFAOYSA-N
XLogP4.54
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one (CID 5329375) is 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1cc2cc(OCCN3CCCCC3)ccc2[nH]1.
What is the InChIKey of 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is IFNGRZXJQFDVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24-20(15-17-6-2-3-7-21(17)26-24)23-16-18-14-19(8-9-22(18)25-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25H,1,4-5,10-13H2,(H,26,28).
What are the key properties of 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 5329375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).