Heptyl cyano[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetate

HCID 5222015

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 842972-05-8
Standard SMILES: CCCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC(C)C1
InChIKey: YHRQGBWMXFJBPJ-UHFFFAOYSA-N
Molecular formula: C24H32N4O2
Average molar mass: 408.5 g/mol
Monoisotopic mass: 408.25252628

Names & identifiers

Preferred name: Heptyl cyano[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetate
IUPAC: heptyl 2-cyano-2-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetate

Names & synonyms

heptyl cyano[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetate842972-05-8DTXSID901176603STK920539AKOS005645705Heptyl I+/--cyano-3-(3-methyl-1-piperidinyl)-2-quinoxalineacetateheptyl 2-cyano-2-(3-(3-methylpiperidin-1-yl)quinoxalin-2-yl)acetate

Database identifiers

CAS: 842972-05-8
PubChem CID: 5222015
DTXSID: DTXSID901176603

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 79.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 30
Formal charge: 0
Complexity: 589

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…