3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one

C25H22N2O3 — CID 71729335

IUPAC3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(C3C(=O)N(C)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C25H22N2O3/c1-16-11-13-17(14-12-16)15-27-21-10-6-4-8-19(21)25(30,24(27)29)22-18-7-3-5-9-20(18)26(2)23(22)28/h3-14,22,30H,15H2,1-2H3
InChIKeyWZMRHTUMZNQGSL-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.49
Rot. Bonds3

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

3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one (PubChem CID 71729335) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
PubChem CID71729335
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(C3C(=O)N(C)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C25H22N2O3/c1-16-11-13-17(14-12-16)15-27-21-10-6-4-8-19(21)25(30,24(27)29)22-18-7-3-5-9-20(18)26(2)23(22)28/h3-14,22,30H,15H2,1-2H3
InChIKeyWZMRHTUMZNQGSL-UHFFFAOYSA-N
XLogP3.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one?
The IUPAC name of 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one (CID 71729335) is 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one?
The canonical SMILES for 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one is Cc1ccc(CN2C(=O)C(O)(C3C(=O)N(C)c4ccccc43)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one?
The InChIKey is WZMRHTUMZNQGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16-11-13-17(14-12-16)15-27-21-10-6-4-8-19(21)25(30,24(27)29)22-18-7-3-5-9-20(18)26(2)23(22)28/h3-14,22,30H,15H2,1-2H3.
What are the key properties of 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one?
3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one has a molecular weight of 398.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one is sourced from PubChem (CID 71729335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).