3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl ester
Basic information
- CAS
67906-28-9- Standard SMILES
CCOC(=O)c1c2c3c(c(Nc4ccc(Cl)cc4)cc(C)c3[nH]c1=O)C(=O)c1ccccc1-2- InChIKey
PNTKMGYQLRLHDL-UHFFFAOYSA-N- Molecular formula
- C26H19ClN2O4
- Average molar mass
- 458.9 g/mol
- Monoisotopic mass
- 458.1033348
Names & identifiers
- Preferred name
- 3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl ester
- IUPAC
- ethyl 10-(4-chloroanilino)-12-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate
- English name
- ethyl 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate
- Molecular formula
- C26H19ClN2O4
- Molecular weight
- 458.89306
Names & synonyms
3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl esterDTXSID40708233H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-((4-chlorophenyl)amino)-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl esterRefChem:505763DTXCID504525167906-28-9EINECS 267-697-3PNTKMGYQLRLHDL-UHFFFAOYSA-N1-Carbethoxy-4-methyl-6-(4'-chloroanilino)-2-keto-3-azabenzanthroneNS00036278Ethyl 6-((4-chlorophenyl)amino)-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz(f,ij)isoquinoline-1-carboxylateEthyl 6-(4-chloroanilino)-2-hydroxy-4-methyl-7-oxo-7H-naphtho[1,2,3-de]quinoline-1-carboxylate
Show more names
ethyl 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate6-[(4-Chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylic acid ethyl ester
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 849
Physicochemical properties
- EPA Substance Registry System
- 3 H-Naphtho[1,2,3-de]quinoline-1-carboxylic · 3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl ester (67906-28-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chlorophenyl)amino]-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl ester: INACTIVE
Related reactions
0 records
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Compound notes
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