7-Methoxy-1,5-naphthyridin-2(1H)-one - CAS 959615-59-9
Catalog: |
BB060196 |
Product Name: |
7-Methoxy-1,5-naphthyridin-2(1H)-one |
CAS: |
959615-59-9 |
Synonyms: |
7-Methoxy-1,5-naphthyridin-2(1H)-one; 7-methoxy-1H-1,5-naphthyridin-2-one; 7-(methoxy)-1,5-naphthyridin-2(1H)-one |
IUPAC Name: | 7-methoxy-1H-1,5-naphthyridin-2-one |
Description: | 7-Methoxy-1,5-naphthyridin-2(1H)-one can be used to prepare heterocyclic compounds (N-ethylquinolones and N-ethylazaquinolones) with antibacterial properties. It can also be used to prepare compounds that inhibit type II topoisomerase inhibitors (NBTIs) in Pseudomonas aeruginosa. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC1=CC2=C(C=CC(=O)N2)N=C1 |
InChI: | InChI=1S/C9H8N2O2/c1-13-6-4-8-7(10-5-6)2-3-9(12)11-8/h2-5H,1H3,(H,11,12) |
InChI Key: | JIILCZQUUQHSEN-UHFFFAOYSA-N |
References: | Ballell, L., et al.: PCT Int. Appl. WO 2008009700 A1 20080124 (2008); Noguchi, T., et al.:PCT Int. Appl. WO 2011148962 A1 20111201 (2011); Reck, F., et al.: Bioorg. Med. Chem. 22, 5392 (2014). |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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