Identita

Vacquinol-1

Neuvedeno · C21H21ClN2O

01Identita

Lazychem IDLC-111944
CAS RNNeuvedeno
PubChem CID224644
Molecular formulaC21H21ClN2O
Molecular weight352.9 g/mol
IUPAC name[2-(4-chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol
InChIKeyVKLJPGAHSLIQKH-UHFFFAOYSA-N

02Struktura a stereochemie

2D structurePubChem CID 224644
Two-dimensional chemical structure of Vacquinol-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count4
Secondary amines1
Tertiary amines0
SMILESC1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O
InChINeuvedeno

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

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      06Zdroje