3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one

C23H20N2O3 — CID 2927717

IUPAC3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
SMILESCc1ccccc1CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C23H20N2O3/c1-16-6-2-3-7-18(16)15-25-20-9-5-4-8-19(20)23(28,22(25)27)14-21(26)17-10-12-24-13-11-17/h2-13,28H,14-15H2,1H3
InChIKeyZHVBCRJAEBLOOM-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.40
Rot. Bonds5

About 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one

3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one (PubChem CID 2927717) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
PubChem CID2927717
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
SMILESCc1ccccc1CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21
InChIInChI=1S/C23H20N2O3/c1-16-6-2-3-7-18(16)15-25-20-9-5-4-8-19(20)23(28,22(25)27)14-21(26)17-10-12-24-13-11-17/h2-13,28H,14-15H2,1H3
InChIKeyZHVBCRJAEBLOOM-UHFFFAOYSA-N
XLogP3.40
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216208
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216206
(3R)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1216204
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 7270821
1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 4271426
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 2056687
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 1216212
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(2-methylphenyl)methyl]indol-2-one
CID 1331654
(3R)-1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 94842760
(3R)-1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 94842767
ethyl 2-[(3R)-3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-4-ylethyl)indol-1-yl]acetate
CID 1320412

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one (CID 2927717) is 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one is Cc1ccccc1CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
The InChIKey is ZHVBCRJAEBLOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16-6-2-3-7-18(16)15-25-20-9-5-4-8-19(20)23(28,22(25)27)14-21(26)17-10-12-24-13-11-17/h2-13,28H,14-15H2,1H3.
What are the key properties of 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one?
3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one has a molecular weight of 372.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one is sourced from PubChem (CID 2927717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).