6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one

C23H17BrN2O3 — CID 66551779

IUPAC6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one
SMILESCN1C(=O)C(C2(O)C(=O)N(c3ccccc3)c3cc(Br)ccc32)c2ccccc21
InChIInChI=1S/C23H17BrN2O3/c1-25-18-10-6-5-9-16(18)20(21(25)27)23(29)17-12-11-14(24)13-19(17)26(22(23)28)15-7-3-2-4-8-15/h2-13,20,29H,1H3
InChIKeyGOGPNLNIFUXXMS-UHFFFAOYSA-N
MW449.30 g/mol
LogP4.08
Rot. Bonds2

About 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one

6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one (PubChem CID 66551779) has the molecular formula C23H17BrN2O3 and a molecular weight of 449.30 g/mol. Its IUPAC name is 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one.

Molecular Properties

Compound Name6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one
PubChem CID66551779
Molecular FormulaC23H17BrN2O3
Molecular Weight449.30 g/mol
Exact Mass448.04
IUPAC Name6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one
SMILESCN1C(=O)C(C2(O)C(=O)N(c3ccccc3)c3cc(Br)ccc32)c2ccccc21
InChIInChI=1S/C23H17BrN2O3/c1-25-18-10-6-5-9-16(18)20(21(25)27)23(29)17-12-11-14(24)13-19(17)26(22(23)28)15-7-3-2-4-8-15/h2-13,20,29H,1H3
InChIKeyGOGPNLNIFUXXMS-UHFFFAOYSA-N
XLogP4.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one?
The IUPAC name of 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one (CID 66551779) is 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one.
What is the SMILES notation for 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one?
The canonical SMILES for 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one is CN1C(=O)C(C2(O)C(=O)N(c3ccccc3)c3cc(Br)ccc32)c2ccccc21.
What is the InChIKey of 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one?
The InChIKey is GOGPNLNIFUXXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O3/c1-25-18-10-6-5-9-16(18)20(21(25)27)23(29)17-12-11-14(24)13-19(17)26(22(23)28)15-7-3-2-4-8-15/h2-13,20,29H,1H3.
What are the key properties of 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one?
6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one has a molecular weight of 449.30 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-hydroxy-3-(1-methyl-2-oxo-3H-indol-3-yl)-1-phenylindol-2-one is sourced from PubChem (CID 66551779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).