3-Cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine

HCID 18994591

Basic information

Standard SMILES
CN1CC(C#N)C(=O)c2cc3cc(F)c(F)cc3nc21
InChIKey
BAXULABNRHCICI-UHFFFAOYSA-N
Molecular formula
C14H9F2N3O
Average molar mass
273.24 g/mol
Monoisotopic mass
273.07136824

Names & identifiers

Preferred name
3-Cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine
IUPAC
7,8-difluoro-1-methyl-4-oxo-2,3-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile

Names & synonyms

SCHEMBL9096319BAXULABNRHCICI-UHFFFAOYSA-N3--cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine3-cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine3-cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4tetrahydrobenzo[b][1,8]naphthyridine

Database identifiers

PubChem CID
18994591

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
57 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
20

Related reactions

4 records

Linked notes

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