3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one

C24H15N3O2 — CID 142275362

IUPAC3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1[nH]c(-c2c(O)[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C24H15N3O2/c28-23-19(15-9-3-5-11-17(15)25-23)21-13-7-1-2-8-14(13)22(27-21)20-16-10-4-6-12-18(16)26-24(20)29/h1-12,25,27-28H
InChIKeyDVFDAINZAWDLNM-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.38
Rot. Bonds2

About 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one

3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one (PubChem CID 142275362) has the molecular formula C24H15N3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one.

Molecular Properties

Compound Name3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one
PubChem CID142275362
Molecular FormulaC24H15N3O2
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1[nH]c(-c2c(O)[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C24H15N3O2/c28-23-19(15-9-3-5-11-17(15)25-23)21-13-7-1-2-8-14(13)22(27-21)20-16-10-4-6-12-18(16)26-24(20)29/h1-12,25,27-28H
InChIKeyDVFDAINZAWDLNM-UHFFFAOYSA-N
XLogP3.38
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-hydroxy-3-(2-hydroxy-1H-indol-3-yl)-7-(2-oxoindol-3-yl)-5H-pyrrolo[2,3-f]indol-2-one
CID 135466349
6-hydroxy-5-(2-oxoindol-3-yl)-1H-pyrimidine-2,4-dione;hydrate
CID 135891515
3-[3-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
CID 157022031
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-[3-(1,3-benzothiazol-2-yl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
CID 1296525
7H-benzo[c]carbazole-5,6-dione
CID 11207363
5H-indeno[1,2-b]indol-10-one
CID 2785776
3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 142783918
4-(2-oxoindol-3-yl)benzoic acid
CID 175545285
5-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)indol-2-one
CID 950601
5,6-dichloro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
CID 135499828

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one?
The IUPAC name of 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one (CID 142275362) is 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one.
What is the SMILES notation for 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one?
The canonical SMILES for 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one is O=C1N=c2ccccc2=C1c1[nH]c(-c2c(O)[nH]c3ccccc23)c2ccccc12.
What is the InChIKey of 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one?
The InChIKey is DVFDAINZAWDLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2/c28-23-19(15-9-3-5-11-17(15)25-23)21-13-7-1-2-8-14(13)22(27-21)20-16-10-4-6-12-18(16)26-24(20)29/h1-12,25,27-28H.
What are the key properties of 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one?
3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one has a molecular weight of 377.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxy-1H-indol-3-yl)-2H-isoindol-1-yl]indol-2-one is sourced from PubChem (CID 142275362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).