1-{[2-(2-Hydroxymethylpyrrolidin-1-yl)ethyl]amino}-anthracene-9,10-dione

HCID 11994513
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Basic information

Standard SMILES
O=C1c2ccccc2C(=O)c2c(NCCN3CCCC3CO)cccc21
InChIKey
YZAUGTZIQSGILV-UHFFFAOYSA-N
Molecular formula
C21H22N2O3
Average molar mass
350.4 g/mol
Monoisotopic mass
350.16304257

Names & identifiers

Preferred name
1-{[2-(2-Hydroxymethylpyrrolidin-1-yl)ethyl]amino}-anthracene-9,10-dione
IUPAC
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethylamino]anthracene-9,10-dione

Names & synonyms

CHEMBL213977SCHEMBL3897353YZAUGTZIQSGILV-UHFFFAOYSA-N1-{[2-(2-Hydroxymethylpyrrolidin-1-yl)ethyl]amino}-anthracene-9,10-dione

Database identifiers

PubChem CID
11994513
ChEMBL
CHEMBL213977

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
69.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Related reactions

1 records
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Linked notes

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