3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one

C20H16N2O2 — CID 10358387

IUPAC3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(O)Cc1ccncc1
InChIInChI=1S/C20H16N2O2/c23-19-20(24,14-15-10-12-21-13-11-15)17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,24H,14H2
InChIKeyRVYUKLAYLOWHMA-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.19
Rot. Bonds3

About 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one

3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one (PubChem CID 10358387) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
PubChem CID10358387
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(O)Cc1ccncc1
InChIInChI=1S/C20H16N2O2/c23-19-20(24,14-15-10-12-21-13-11-15)17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,24H,14H2
InChIKeyRVYUKLAYLOWHMA-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one (CID 10358387) is 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one is O=C1N(c2ccccc2)c2ccccc2C1(O)Cc1ccncc1.
What is the InChIKey of 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
The InChIKey is RVYUKLAYLOWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-19-20(24,14-15-10-12-21-13-11-15)17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,24H,14H2.
What are the key properties of 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one?
3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 10358387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).