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9,10-dihydro-8H-[1,2]oxazino[2',3':1,2]imidazo[4,5-c][1,5]naphthyridine

HCID 66619829
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1cnc2c(c1)ncc1nc3n(c12)OCCC3
InChIKey
HNJQBQDOYJVFNP-UHFFFAOYSA-N
Molecular formula
C12H10N4O
Average molar mass
226.23 g/mol

Names & identifiers

Preferred name
9,10-dihydro-8H-[1,2]oxazino[2',3':1,2]imidazo[4,5-c][1,5]naphthyridine
IUPAC
16-oxa-3,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,5,7,9,11-hexaene

Names & synonyms

SCHEMBL202179HNJQBQDOYJVFNP-UHFFFAOYSA-N9,10-dihydro-8H-[1,2]oxazino[2',3':1,2]imidazo[4,5-c][1,5]naphthyridine

Database identifiers

PubChem CID
66619829

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
52.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
17
Formal charge
0
Complexity
300

Related reactions

3 records
New reaction record
HRID 415519 reaction equation
HRID 415519As productuspto-grants-2012_01
HRID 415520 reaction equation
HRID 415520As reactantuspto-grants-2012_01
HRID 2332390 reaction equation
HRID 2332390As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes