3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one

C17H14N2O2 — CID 154352428

IUPAC3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one
SMILESCOc1ccc2ccn(C3C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C17H14N2O2/c1-21-12-7-6-11-8-9-19(15(11)10-12)16-13-4-2-3-5-14(13)18-17(16)20/h2-10,16H,1H3,(H,18,20)
InChIKeyGBZRHTOLBSUZPP-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.19
Rot. Bonds2

About 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one

3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one (PubChem CID 154352428) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one
PubChem CID154352428
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one
SMILESCOc1ccc2ccn(C3C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C17H14N2O2/c1-21-12-7-6-11-8-9-19(15(11)10-12)16-13-4-2-3-5-14(13)18-17(16)20/h2-10,16H,1H3,(H,18,20)
InChIKeyGBZRHTOLBSUZPP-UHFFFAOYSA-N
XLogP3.19
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162388706
3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one
CID 132533031
6-methoxyindol-1-amine
CID 11816030
3-methoxy-6,11-dihydroindolo[2,1-c][1,4]benzodiazepin-12-one
CID 13477805
5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one
CID 71457098
3-(3-diphenylphosphorylindol-1-yl)-1,3-dihydroindol-2-one
CID 164523828
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
3-bromo-4-(4-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 6425507
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 79730196
2-methoxybenzimidazolo[1,2-a]quinoline
CID 11521634
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CID 131887871

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one (CID 154352428) is 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one is COc1ccc2ccn(C3C(=O)Nc4ccccc43)c2c1.
What is the InChIKey of 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is GBZRHTOLBSUZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-12-7-6-11-8-9-19(15(11)10-12)16-13-4-2-3-5-14(13)18-17(16)20/h2-10,16H,1H3,(H,18,20).
What are the key properties of 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one?
3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 154352428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).