2-Aminoquinoline-6-carboxylic Acid tert-Butyl ester - CAS 863492-32-4
Catalog: |
BB054928 |
Product Name: |
2-Aminoquinoline-6-carboxylic Acid tert-Butyl ester |
CAS: |
863492-32-4 |
Synonyms: |
tert-butyl 2-aminoquinoline-6-carboxylate; 2-Aminoquinoline-6-carboxylic acid tert-butyl ester; 2-Amino-quinoline-6-carboxylic acid tert-butyl ester |
IUPAC Name: | tert-butyl 2-aminoquinoline-6-carboxylate |
Molecular Weight: | 244.29 |
Molecular Formula: | C14H16N2O |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC2=C(C=C1)N=C(C=C2)N |
InChI: | InChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)10-4-6-11-9(8-10)5-7-12(15)16-11/h4-8H,1-3H3,(H2,15,16) |
InChI Key: | SOOYGLFQUPKQHA-UHFFFAOYSA-N |
References: | Bertinato, P., et al.:PCT Int. Appl. (2005), WO 2005080373 A1 20050901. |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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