1-{2-(4-methyl-1(2H)-phthalazinon-2-yl)-4-pyridyl}-3-hydroxymethyl-6,7-diethoxynaphthalene

HCID 22007441
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Basic information

Standard SMILES
CCOc1cc2cc(CO)cc(-c3ccnc(-n4nc(C)c5ccccc5c4=O)c3)c2cc1OCC
InChIKey
FRKZKKZSZBKPMJ-UHFFFAOYSA-N
Molecular formula
C29H27N3O4
Average molar mass
481.5 g/mol
Monoisotopic mass
481.20015635

Names & identifiers

Preferred name
1-{2-(4-methyl-1(2H)-phthalazinon-2-yl)-4-pyridyl}-3-hydroxymethyl-6,7-diethoxynaphthalene
IUPAC
2-[4-[6,7-diethoxy-3-(hydroxymethyl)naphthalen-1-yl]-2-pyridinyl]-4-methylphthalazin-1-one

Names & synonyms

SCHEMBL7746405FRKZKKZSZBKPMJ-UHFFFAOYSA-N1-{2-(4-methyl-1(2H)-phthalazinon-2-yl)-4-pyridyl}-3-hydroxymethyl-6,7-diethoxynaphthalene

Database identifiers

PubChem CID
22007441

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
84.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
36

Related reactions

3 records
New reaction record

Compound notes

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