(rac)-Ethyl 4-(4-cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-ylcarbamate

HCID 71811403

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21
InChIKey: QKKQXLWDIDGSHY-UHFFFAOYSA-N
Molecular formula: C19H19N3O2
Average molar mass: 321.4 g/mol
Monoisotopic mass: 321.14772686

Names & identifiers

Preferred name: (rac)-Ethyl 4-(4-cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-ylcarbamate
IUPAC: ethyl N-[4-(4-cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]carbamate

Names & synonyms

CHEMBL3981781SCHEMBL15325045QKKQXLWDIDGSHY-UHFFFAOYSA-NBDBM191884US9187429, 10(rac)-Ethyl 4-(4-cyanophenyl)-5,6,7,8-tetrahydroisoquinolin-8-ylcarbamate

Database identifiers

PubChem CID: 71811403
ChEMBL: CHEMBL3981781

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 75 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 478

Related reactions

1 records

New reaction record

HRID 714069As productuspto-grants-2015_11

Compound notes

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