8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid

HCID 20154346

Basic information

Standard SMILES
CC1CC(=O)c2c(Cl)c(Cl)cc3c(=O)c(C(=O)O)cn1c23
InChIKey
CJGAVMPIOIZERZ-UHFFFAOYSA-N
Molecular formula
C14H9Cl2NO4
Average molar mass
326.1 g/mol

Names & identifiers

Preferred name
8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid
IUPAC
7,8-dichloro-12-methyl-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid

Names & synonyms

SCHEMBL9703818CJGAVMPIOIZERZ-UHFFFAOYSA-N8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid8, 9-dichloro-5-methyl-6, 7-dihydro-1,7-dioxo-1H, 5H-benzo[ij]quinolizine-2-carboxylic acid

Database identifiers

PubChem CID
20154346

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
74.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
21

Related reactions

4 records

Compound notes

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