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Compound
Ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate
HCID
9842152
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Basic information
Standard SMILES
CCOC(=O)c1cnc2ccc(OCC)nc2c1Nc1ccc(OC)cc1
InChIKey
XNULMQJEFYRYIP-UHFFFAOYSA-N
Molecular formula
C20H21N3O4
Average molar mass
367.4 g/mol
Monoisotopic mass
367.15320616
Names & identifiers
Preferred name
Ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate
IUPAC
ethyl 6-ethoxy-4-(4-methoxyanilino)-1,5-naphthyridine-3-carboxylate
Names & synonyms
SCHEMBL8325775
Database identifiers
PubChem CID
9842152
Properties
Computed structural properties
XLogP
4.2
Topological polar surface area
82.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
27
Formal charge
0
Complexity
470
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Related reactions
1 records
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As product
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As solvent
HRID
157139
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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