1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one

HCID 337291

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Basic information

CAS: 86456-16-8
Standard SMILES: COc1ccc2oc3cccc(NCCN(C)C)c3c(=O)c2c1
InChIKey: VZEANJLRFRGUBQ-UHFFFAOYSA-N
Molecular formula: C18H20N2O3
Average molar mass: 312.4 g/mol
Monoisotopic mass: 312.1473925

Names & identifiers

Preferred name: 1-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-one
IUPAC: 1-[2-(dimethylamino)ethylamino]-7-methoxyxanthen-9-one

Names & synonyms

86456-16-81-((2-(Dimethylamino)ethyl)amino)-7-methoxy-9H-xanthen-9-oneNSC3546741-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-7-METHOXY-9H-XANTHEN-9-ONECHEMBL1974891DTXSID70320085NSC-354674NCI60_0031911-(2-dimethylaminoethylamino)-7-methoxy-xanthen-9-one9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-methoxy-

Database identifiers

CAS: 86456-16-8
PubChem CID: 337291
DTXSID: DTXSID70320085
ChEMBL: CHEMBL1974891

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 415

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