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N,N,4-trimethyl-6-nitroquinolin-2-amine

HCID 22018963
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(N(C)C)nc2ccc([N+](=O)[O-])cc12
InChIKey
NTNJQNWOBDMKNT-UHFFFAOYSA-N
Molecular formula
C12H13N3O2
Average molar mass
231.25 g/mol

Names & identifiers

Preferred name
N,N,4-trimethyl-6-nitroquinolin-2-amine
IUPAC
N,N,4-trimethyl-6-nitroquinolin-2-amine

Names & synonyms

SCHEMBL5873652NTNJQNWOBDMKNT-UHFFFAOYSA-NN,N,4-trimethyl-6-nitroquinolin-2-amine

Database identifiers

PubChem CID
22018963

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
62 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
290

Related reactions

2 records
New reaction record
HRID 6808 reaction equation
HRID 6808As productuspto-grants-2006_08
HRID 151720 reaction equation
HRID 151720As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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