7-Bromo-1-ethyl-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one (HCID 21966486)

Substructure search Find similar structures

Basic information

Standard SMILES: CCN1C(=O)CC(C)(C)c2cc(C)c(Br)cc21
InChIKey: SSIVEDPNMAMSDY-UHFFFAOYSA-N
Molecular formula: C14H18BrNO
Average molar mass: 296.2 g/mol

Names & identifiers

Preferred name: 7-Bromo-1-ethyl-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one
IUPAC: 7-bromo-1-ethyl-4,4,6-trimethyl-3H-quinolin-2-one

Names & synonyms

SCHEMBL3497159SSIVEDPNMAMSDY-UHFFFAOYSA-N7-Bromo-1-ethyl-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one7-bromo-1-ethyl-4,4,6-trimethyl-3,4-dihydro-1H-quinoline-2-one

Database identifiers

PubChem CID: 21966486

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 315

Related reactions

22 records

New reaction record

HRID 147035As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161785As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 187691As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 687315As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 883064As productuspto-grants-2012_08

HRID 883065As reactantuspto-grants-2012_08

HRID 883068As reactantuspto-grants-2012_08

HRID 883071As reactantuspto-grants-2012_08

Compound notes

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