2-(3-Bromophenyl)-4,4,8-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile

HCID 67289987

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(C#N)cc2c1NC(c1cccc(Br)c1)CC2(C)C
InChIKey: IFBASUXCDXCIGJ-UHFFFAOYSA-N
Molecular formula: C19H19BrN2
Average molar mass: 355.3 g/mol

Names & identifiers

Preferred name: 2-(3-Bromophenyl)-4,4,8-trimethyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile
IUPAC: 2-(3-bromophenyl)-4,4,8-trimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile

Names & synonyms

1373546-29-22-(3-BROMOPHENYL)-4,4,8-TRIMETHYL-1,2,3,4-TETRAHYDROQUINOLINE-6-CARBONITRILESCHEMBL2135138IFBASUXCDXCIGJ-UHFFFAOYSA-N2-(3-bromo-phenyl)-4,4,8-trimethyl-1,2,3,4-tetrahydro-quinoline-6-carbonitrile

Database identifiers

PubChem CID: 67289987

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 452

Related reactions

6 records

New reaction record

HRID 152463As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 688876As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1036868As productuspto-grants-2013_10

HRID 1036869As reactantuspto-grants-2013_10

HRID 1036877As reactantuspto-grants-2013_10

HRID 1226440As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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