9-Bromo-5-cyclohexylcarbamoylmethyl-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

HCID 44285705
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Basic information

Standard SMILES
O=C(CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)NC1CCCCC1
InChIKey
QXOYHCFPIFMDCM-UHFFFAOYSA-N
Molecular formula
C19H22BrN3O3
Average molar mass
420.3 g/mol

Names & identifiers

Preferred name
9-Bromo-5-cyclohexylcarbamoylmethyl-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione
IUPAC
2-(7-bromo-2,3-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-12-yl)-N-cyclohexylacetamide

Names & synonyms

CHEMBL36695SCHEMBL9598229QXOYHCFPIFMDCM-UHFFFAOYSA-N9-Bromo-5-cyclohexylcarbamoylmethyl-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

Database identifiers

PubChem CID
44285705
ChEMBL
CHEMBL36695

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
78.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
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Compound notes

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