3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-, ethyl ester
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Basic information
- CAS
68833-64-7- Standard SMILES
CCOC(=O)c1c2c3c(c(Nc4ccc(C)cc4)cc(C)c3[nH]c1=O)C(=O)c1ccccc1-2- InChIKey
YNTVBEBKDUKDRV-UHFFFAOYSA-N- Molecular formula
- C27H22N2O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.15795719
Names & identifiers
- Preferred name
- 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-, ethyl ester
- IUPAC
- ethyl 12-methyl-10-(4-methylanilino)-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 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate
- Molecular formula
- C27H22N2O4
- Molecular weight
- 438.47
Names & synonyms
EINECS 272-407-33H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl esterDTXSID40717601-Carbethoxy-4-methyl-6-(4-toluidino)-2-oxo-3-azabenzanthrone3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-, ethyl esterRefChem:505749DTXCID304624168833-64-79BU78YKC5SYNTVBEBKDUKDRV-UHFFFAOYSA-NNS00036708Ethyl 2,7-dihydro-4-methyl-6-((4-methylphenyl)amino)-2,7-dioxo-3H-dibenz(f,ij)isoquinoline-1-carboxylate
Show more names
ethyl 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylateethyl 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate2,7-Dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylic acid ethyl ester
Ethyl 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-3H-naphtho[1,2,3-de]quinoline-1-carboxylateEthyl 2-hydroxy-4-methyl-6-(4-methylanilino)-7-oxo-7H-naphtho[1,2,3-de]quinoline-1-carboxylate
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- 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
- 843
Physicochemical properties
- Boiling point
- 669.8 · 669.8±55.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 10.44 · 10.44±0.40(Predicted)
- EPA Substance Registry System
- 3 H-Naphtho[1,2,3-de]quinoline-1-carboxylic · 3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl ester (68833-64-7)
- 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, 2,7-dihydro-4-methyl-6-[(4-methylphenyl)amino]-2,7-dioxo-, ethyl ester: INACTIVE
Related reactions
0 records
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Compound notes
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