6-Methyl-2-oxo-1-(2-pyrrolidin-1-yl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinolin-3-carbonitrile

HCID 21081982

Basic information

Standard SMILES
Cc1ccc2c(c1)c(N1CCN(C(=O)c3cccs3)CC1)c(C#N)c(=O)n2CCN1CCCC1
InChIKey
AUJCAZKLDKKKGX-UHFFFAOYSA-N
Molecular formula
C26H29N5O2S
Average molar mass
475.6 g/mol
Monoisotopic mass
475.20419636

Names & identifiers

Preferred name
6-Methyl-2-oxo-1-(2-pyrrolidin-1-yl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinolin-3-carbonitrile
IUPAC
6-methyl-2-oxo-1-(2-pyrrolidin-1-ylethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

Names & synonyms

SCHEMBL5529367AUJCAZKLDKKKGX-UHFFFAOYSA-N6-Methyl-2-oxo-1-(2-pyrrolidin-1-yl-ethyl)-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinolin-3-carbonitrile

Database identifiers

PubChem CID
21081982

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
99.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

Related reactions

5 records

Compound notes

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