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[1-[2-(methoxymethyl)-7-methylindazol-5-yl]-3-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

HCID 87678948
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCn1cc2cc(CC(C=O)OC(=O)N3CCC(c4cc5ccccc5[nH]c4=O)CC3)cc(C)c2n1
InChIKey
LFYDEIFZQYNQAE-UHFFFAOYSA-N
Molecular formula
C28H30N4O5
Average molar mass
502.6 g/mol

Names & identifiers

Preferred name
[1-[2-(methoxymethyl)-7-methylindazol-5-yl]-3-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
IUPAC
[1-[2-(methoxymethyl)-7-methylindazol-5-yl]-3-oxopropan-2-yl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate

Names & synonyms

SCHEMBL4501243

Database identifiers

PubChem CID
87678948

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Formal charge
0
Complexity
873

Related reactions

1 records
New reaction record
HRID 955388 reaction equation
HRID 955388As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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