3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one

C23H20N2O3 — CID 3789774

IUPAC3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C23H20N2O3/c26-21(19-11-6-7-14-24-19)16-23(28)18-10-4-5-12-20(18)25(22(23)27)15-13-17-8-2-1-3-9-17/h1-12,14,28H,13,15-16H2
InChIKeyURIPVZYOZYKKDT-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.13
Rot. Bonds6

About 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one

3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one (PubChem CID 3789774) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one
PubChem CID3789774
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccn1
InChIInChI=1S/C23H20N2O3/c26-21(19-11-6-7-14-24-19)16-23(28)18-10-4-5-12-20(18)25(22(23)27)15-13-17-8-2-1-3-9-17/h1-12,14,28H,13,15-16H2
InChIKeyURIPVZYOZYKKDT-UHFFFAOYSA-N
XLogP3.13
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one (CID 3789774) is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one is O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccn1.
What is the InChIKey of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one?
The InChIKey is URIPVZYOZYKKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-21(19-11-6-7-14-24-19)16-23(28)18-10-4-5-12-20(18)25(22(23)27)15-13-17-8-2-1-3-9-17/h1-12,14,28H,13,15-16H2.
What are the key properties of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one?
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one has a molecular weight of 372.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 3789774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).