6-Quinolinecarbonitrile, 2-[4-[[(2S)-2,3-dihydro-8-methyl-1,4-dioxino[2,3-f]quinolin-2-yl]methyl]-1-piperazinyl]-

HCID 10072510
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Basic information

Standard SMILES
Cc1ccc2c3c(ccc2n1)OCC(CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3
InChIKey
AIBSVCNXTNBLRF-UHFFFAOYSA-N
Molecular formula
C27H25N5O2
Average molar mass
451.5 g/mol

Names & identifiers

Preferred name
6-Quinolinecarbonitrile, 2-[4-[[(2S)-2,3-dihydro-8-methyl-1,4-dioxino[2,3-f]quinolin-2-yl]methyl]-1-piperazinyl]-
IUPAC
2-[4-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperazin-1-yl]quinoline-6-carbonitrile

Names & synonyms

6-Quinolinecarbonitrile, 2-[4-[[(2S)-2,3-dihydro-8-methyl-1,4-dioxino[2,3-f]quinolin-2-yl]methyl]-1-piperazinyl]-676130-94-2PD089965

Database identifiers

PubChem CID
10072510

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
74.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
34

Related reactions

1 records
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Compound notes

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