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3-Chlorobenzo[f][1,7]naphthyridin-5-amine

HCID 58213630
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc2ccccc2c2ccc(Cl)nc12
InChIKey
UQGCWRAPSQIRHT-UHFFFAOYSA-N
Molecular formula
C12H8ClN3
Average molar mass
229.66 g/mol
Monoisotopic mass
229.040675

Names & identifiers

Preferred name
3-Chlorobenzo[f][1,7]naphthyridin-5-amine
IUPAC
3-chlorobenzo[f][1,7]naphthyridin-5-amine

Names & synonyms

SCHEMBL1062779UQGCWRAPSQIRHT-UHFFFAOYSA-N3-chlorobenzo[f][1,7]naphthyridin-5-amine

Database identifiers

PubChem CID
58213630

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Formal charge
0
Complexity
261

Related reactions

17 records
New reaction record
HRID 186382 reaction equation
HRID 186382As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 340209 reaction equation
HRID 340209As productuspto-grants-2014_11
HRID 340210 reaction equation
HRID 340210As reactantuspto-grants-2014_11
HRID 340211 reaction equation
HRID 340211As reactantuspto-grants-2014_11
HRID 340212 reaction equation
HRID 340212As reactantuspto-grants-2014_11
HRID 340214 reaction equation
HRID 340214As reactantuspto-grants-2014_11
HRID 1259077 reaction equation
HRID 1259077As productuspto-grants-2013_06
HRID 1259078 reaction equation
HRID 1259078As reactantuspto-grants-2013_06
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Compound notes

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