7-Ethoxy-4-hydroxy-6-nitroquinoline-3-carbonitrile - CAS 214476-08-1
Catalog: |
BB016872 |
Product Name: |
7-Ethoxy-4-hydroxy-6-nitroquinoline-3-carbonitrile |
CAS: |
214476-08-1 |
Synonyms: |
7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile; 7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile |
IUPAC Name: | 7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile |
Description: | Reagent used in the preparation of tyrosine kinase inhibiting antitumor agents. |
Molecular Weight: | 259.22 |
Molecular Formula: | C12H9N3O4 |
Canonical SMILES: | CCOC1=C(C=C2C(=C1)NC=C(C2=O)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C12H9N3O4/c1-2-19-11-4-9-8(3-10(11)15(17)18)12(16)7(5-13)6-14-9/h3-4,6H,2H2,1H3,(H,14,16) |
InChI Key: | YWXULSPHZDNVAN-UHFFFAOYSA-N |
Boiling Point: | 456.346 ℃ at 760 mmHg |
Density: | 1.452 g/cm3 |
MDL: | MFCD13181132 |
LogP: | 2.22988 |
Publication Number | Title | Priority Date |
CN-110845409-A | Method for synthesizing neratinib intermediate | 20191206 |
US-2020190091-A1 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | 20170901 |
WO-2019042409-A1 | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application thereof | 20170901 |
EP-3677583-A1 | Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application | 20170901 |
JP-2020531553-A | Nitrogen-containing heterocyclic compounds, manufacturing methods, intermediates, compositions and uses | 20170901 |
Complexity: | 473 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.05930578 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.05930578 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 108 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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