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

C17H13IN2O3 — CID 118710079

IUPAC3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(I)cc43)c2c1
InChIInChI=1S/C17H13IN2O3/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)
InChIKeyCTJUTNOSUMPPGS-UHFFFAOYSA-N
MW420.21 g/mol
LogP2.97
Rot. Bonds2

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

3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 118710079) has the molecular formula C17H13IN2O3 and a molecular weight of 420.21 g/mol. Its IUPAC name is 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
PubChem CID118710079
Molecular FormulaC17H13IN2O3
Molecular Weight420.21 g/mol
Exact Mass420.00
IUPAC Name3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(I)cc43)c2c1
InChIInChI=1S/C17H13IN2O3/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)
InChIKeyCTJUTNOSUMPPGS-UHFFFAOYSA-N
XLogP2.97
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.21
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-3-(1H-indol-3-yl)-5-methoxy-1H-indol-2-one
CID 92733868
3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
CID 118710075
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
CID 22560825
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
N-(2,5-dimethoxyphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210851
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 135613379
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one (CID 118710079) is 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one is COc1ccc2[nH]cc(C3(O)C(=O)Nc4ccc(I)cc43)c2c1.
What is the InChIKey of 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is CTJUTNOSUMPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O3/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 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one?
3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 420.21 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-iodo-3-(5-methoxy-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 118710079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).