8-(1-(2-chloro-5-fluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide

HCID 58235017

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(Nc1cc(F)ccc1Cl)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIKey: PLWUZSWBNZPMAZ-UHFFFAOYSA-N
Molecular formula: C24H25ClFN3O4
Average molar mass: 473.9 g/mol
Monoisotopic mass: 473.1517621

Names & identifiers

Preferred name: 8-(1-(2-chloro-5-fluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
IUPAC: 8-[1-(2-chloro-5-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

Names & synonyms

SCHEMBL1638462CHEMBL3656414PLWUZSWBNZPMAZ-UHFFFAOYSA-NBDBM119266US8673906, 3.268-(1-(2-chloro-5-fluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide

Database identifiers

PubChem CID: 58235017
ChEMBL: CHEMBL3656414

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 71.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 760

Related reactions

4 records

New reaction record

HRID 126343As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 572765As productuspto-grants-2015_05

HRID 1187212As productuspto-grants-2014_03

HRID 1947325As productuspto-grants-2013_03

Compound notes

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