5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one

C17H13BrN2O3 — CID 69436416

IUPAC5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(Br)cc43)c2c1
InChIInChI=1S/C17H13BrN2O3/c1-23-10-3-5-14-11(7-10)13(8-19-14)17(22)12-6-9(18)2-4-15(12)20-16(17)21/h2-8,19,22H,1H3,(H,20,21)
InChIKeyFATHFHKLZCFYCQ-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.13
Rot. Bonds2

About 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one

5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 69436416) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
PubChem CID69436416
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC Name5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(Br)cc43)c2c1
InChIInChI=1S/C17H13BrN2O3/c1-23-10-3-5-14-11(7-10)13(8-19-14)17(22)12-6-9(18)2-4-15(12)20-16(17)21/h2-8,19,22H,1H3,(H,20,21)
InChIKeyFATHFHKLZCFYCQ-UHFFFAOYSA-N
XLogP3.13
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one (CID 69436416) is 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one is COc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(Br)cc43)c2c1.
What is the InChIKey of 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is FATHFHKLZCFYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-23-10-3-5-14-11(7-10)13(8-19-14)17(22)12-6-9(18)2-4-15(12)20-16(17)21/h2-8,19,22H,1H3,(H,20,21).
What are the key properties of 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 373.21 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 69436416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).