6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one

C26H14N4O4 — CID 5236351

IUPAC6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one
SMILESO=C1N=c2ccccc2=C1C1=c2cc3[nH]c(O)c(-c4c(O)[nH]c5ccccc45)c3cc2=NC1=O
InChIInChI=1S/C26H14N4O4/c31-23-19(11-5-1-3-7-15(11)27-23)21-13-9-18-14(10-17(13)29-25(21)33)22(26(34)30-18)20-12-6-2-4-8-16(12)28-24(20)32/h1-10,27,29,31,33H
InChIKeyWWODSSGCEYJDOJ-UHFFFAOYSA-N
MW446.42 g/mol
LogP1.05
Rot. Bonds2

About 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one

6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one (PubChem CID 5236351) has the molecular formula C26H14N4O4 and a molecular weight of 446.42 g/mol. Its IUPAC name is 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one.

Molecular Properties

Compound Name6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one
PubChem CID5236351
Molecular FormulaC26H14N4O4
Molecular Weight446.42 g/mol
Exact Mass446.10
IUPAC Name6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one
SMILESO=C1N=c2ccccc2=C1C1=c2cc3[nH]c(O)c(-c4c(O)[nH]c5ccccc45)c3cc2=NC1=O
InChIInChI=1S/C26H14N4O4/c31-23-19(11-5-1-3-7-15(11)27-23)21-13-9-18-14(10-17(13)29-25(21)33)22(26(34)30-18)20-12-6-2-4-8-16(12)28-24(20)32/h1-10,27,29,31,33H
InChIKeyWWODSSGCEYJDOJ-UHFFFAOYSA-N
XLogP1.05
TPSA130.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
The IUPAC name of 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one (CID 5236351) is 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one.
What is the SMILES notation for 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
The canonical SMILES for 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one is O=C1N=c2ccccc2=C1C1=c2cc3[nH]c(O)c(-c4c(O)[nH]c5ccccc45)c3cc2=NC1=O.
What is the InChIKey of 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
The InChIKey is WWODSSGCEYJDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N4O4/c31-23-19(11-5-1-3-7-15(11)27-23)21-13-9-18-14(10-17(13)29-25(21)33)22(26(34)30-18)20-12-6-2-4-8-16(12)28-24(20)32/h1-10,27,29,31,33H.
What are the key properties of 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one has a molecular weight of 446.42 g/mol, XLogP of 1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-(2-hydroxy-1H-indol-3-yl)-3-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one is sourced from PubChem (CID 5236351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).