Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-B]pyridine-3-carboxylate

C₁₈H₁₈N₂O₄CAS 68301-99-5326.35 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₈H₁₈N₂O₄
Molar mass: 326.35 g/mol
Exact mass: 326.1267 Da
logP: 3.22Crippen estimate
Polar surface area: 95.4 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

68301-99-5

SMILES

CCOC(=O)C1=C(N=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(C)C)N

InChIKey

PFDJAEKKGJFCNL-UHFFFAOYSA-N

InChI

InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate

Work with Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-B]pyridine-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Amlexanox68302-57-869 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-038 % similar Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate778-97-237 % similar Ethyl 3-aminobenzofuran-2-carboxylate39786-35-136 % similar Ethyl 5-aminobenzofuran-2-carboxylate174775-48-536 % similar 3-Carbethoxycoumarin1846-76-036 % similar 3-Formyl-6-isopropylchromone49619-58-134 % similar Ethyl 2-aminobenzoate87-25-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook