3-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]-4-(4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one

HCID 71087362
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Basic information

Standard SMILES
CC(C)(C)C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cccnc4c3)cc2)C1
InChIKey
QBNXIZNTKGWHDT-UHFFFAOYSA-N
Molecular formula
C27H29N5O2
Average molar mass
455.6 g/mol

Names & identifiers

Preferred name
3-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]-4-(4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one
IUPAC
3-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]-4-(4-quinolin-7-ylphenyl)-1H-1,2,4-triazol-5-one

Names & synonyms

SCHEMBL14151834

Database identifiers

PubChem CID
71087362

Properties

Computed structural properties

XLogP
4
Topological polar surface area
77.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
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Compound notes

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