1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one

C22H18N2O3 — CID 2998832

IUPAC1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccncc1
InChIInChI=1S/C22H18N2O3/c25-20(17-10-12-23-13-11-17)14-22(27)18-8-4-5-9-19(18)24(21(22)26)15-16-6-2-1-3-7-16/h1-13,27H,14-15H2
InChIKeyKBGVOFPOFCBRCV-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.09
Rot. Bonds5

About 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one

1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one (PubChem CID 2998832) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
PubChem CID2998832
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccncc1
InChIInChI=1S/C22H18N2O3/c25-20(17-10-12-23-13-11-17)14-22(27)18-8-4-5-9-19(18)24(21(22)26)15-16-6-2-1-3-7-16/h1-13,27H,14-15H2
InChIKeyKBGVOFPOFCBRCV-UHFFFAOYSA-N
XLogP3.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one (CID 2998832) is 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one is O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccncc1.
What is the InChIKey of 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The InChIKey is KBGVOFPOFCBRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-20(17-10-12-23-13-11-17)14-22(27)18-8-4-5-9-19(18)24(21(22)26)15-16-6-2-1-3-7-16/h1-13,27H,14-15H2.
What are the key properties of 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one has a molecular weight of 358.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one is sourced from PubChem (CID 2998832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).