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6-(3-Methoxy-phenyl)-3-[5-(2-pyrrolidin-1-yl-ethoxy)-1H-indol-2-ylmethylene]-1,3-dihydro-indol-2-one

HCID 69587033
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(-c2ccc3c(c2)NC(=O)C3=Cc2cc3cc(OCCN4CCCC4)ccc3[nH]2)c1
InChIKey
NFPNIFYCRUXPFR-UHFFFAOYSA-N
Molecular formula
C30H29N3O3
Average molar mass
479.6 g/mol

Names & identifiers

Preferred name
6-(3-Methoxy-phenyl)-3-[5-(2-pyrrolidin-1-yl-ethoxy)-1H-indol-2-ylmethylene]-1,3-dihydro-indol-2-one
IUPAC
6-(3-methoxyphenyl)-3-[[5-(2-pyrrolidin-1-ylethoxy)-1H-indol-2-yl]methylidene]-1H-indol-2-one

Names & synonyms

SCHEMBL5842245NFPNIFYCRUXPFR-UHFFFAOYSA-N6-(3-Methoxy-phenyl)-3-[5-(2-pyrrolidin-1-yl-ethoxy)-1H-indol-2-ylmethylene]-1,3-dihydro-indol-2-one

Database identifiers

PubChem CID
69587033

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
66.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Formal charge
0
Complexity
796

Related reactions

3 records
New reaction record
HRID 49084 reaction equation
HRID 49084As productuspto-grants-2004_03
HRID 952515 reaction equation
HRID 952515As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1790938 reaction equation
HRID 1790938As productuspto-grants-2006_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes