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

C26H14N4O4 — CID 135466349

IUPAC6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one
SMILESO=C1N=c2cc3c(C4=c5ccccc5=NC4=O)c(O)[nH]c3cc2=C1c1c(O)[nH]c2ccccc12
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/h1-10,27,30-31,34H
InChIKeyCQHPQJDLRXHNND-UHFFFAOYSA-N
MW446.42 g/mol
LogP0.78
Rot. Bonds2

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

6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one (PubChem CID 135466349) has the molecular formula C26H14N4O4 and a molecular weight of 446.42 g/mol. Its IUPAC name is 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one
PubChem CID135466349
Molecular FormulaC26H14N4O4
Molecular Weight446.42 g/mol
Exact Mass446.10
IUPAC Name6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one
SMILESO=C1N=c2cc3c(C4=c5ccccc5=NC4=O)c(O)[nH]c3cc2=C1c1c(O)[nH]c2ccccc12
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/h1-10,27,30-31,34H
InChIKeyCQHPQJDLRXHNND-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one
CID 142275362
6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate
CID 135891515
3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-(3,4-13C2)1H-pyrrol-3-yl]indol-2-one
CID 135465957
3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
CID 135460761
3-(5,7-ditert-butyl-2-hydroxy-1-benzofuran-3-yl)indol-2-one
CID 135467138
(3E)-6-bromo-3-[6-bromo-1-(2-ethylhexyl)-2-oxoindol-3-ylidene]-1-(2-ethylhexyl)indol-2-one;6-bromo-3-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-2-one
CID 159862799
3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
CID 157022031
4-(2-oxoindol-3-yl)benzoic acid
CID 175545285
5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
CID 135499828
3-(2-cyclohexyl-1H-indol-3-yl)-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
CID 101212718
3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one
CID 161493937
3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol
CID 135414367

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
The IUPAC name of 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one (CID 135466349) is 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one.
What is the SMILES notation for 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
The canonical SMILES for 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one is O=C1N=c2cc3c(C4=c5ccccc5=NC4=O)c(O)[nH]c3cc2=C1c1c(O)[nH]c2ccccc12.
What is the InChIKey of 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
The InChIKey is CQHPQJDLRXHNND-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/h1-10,27,30-31,34H.
What are the key properties of 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one?
6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one has a molecular weight of 446.42 g/mol, XLogP of 0.78, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one is sourced from PubChem (CID 135466349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).