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8-methyl-6-nitro-3,4-dihydro-2(1H)-quinolinone

HCID 20072873
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc([N+](=O)[O-])cc2c1NC(=O)CC2
InChIKey
ATPUPDAFKPSXCF-UHFFFAOYSA-N
Molecular formula
C10H10N2O3
Average molar mass
206.2 g/mol

Names & identifiers

Preferred name
8-methyl-6-nitro-3,4-dihydro-2(1H)-quinolinone
IUPAC
8-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one

Names & synonyms

SCHEMBL7268560ATPUPDAFKPSXCF-UHFFFAOYSA-N8-methyl-6-nitro-3,4-dihydro-2(1H)-quinolinone

Database identifiers

PubChem CID
20072873

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
287

Related reactions

2 records
New reaction record
HRID 704619 reaction equation
HRID 704619As reactantuspto-grants-1991_01
HRID 1148139 reaction equation
HRID 1148139As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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