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18007-09-5 | Benzo[f]quinoline-4(3H)-carboxylic acid, 3-cyano-, ethyl ester
CAS No: 18007-09-5 Catalog No: AG0021OU MDL No:
Product Description
Catalog Number:
AG0021OU
Chemical Name:
Benzo[f]quinoline-4(3H)-carboxylic acid, 3-cyano-, ethyl ester
CAS Number:
18007-09-5
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
ethyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
InChI:
InChI=1S/C17H14N2O2/c1-2-21-17(20)19-13(11-18)8-9-15-14-6-4-3-5-12(14)7-10-16(15)19/h3-10,13H,2H2,1H3
InChI Key:
UDUPQJFRNMDWRK-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1C(C#N)C=Cc2c1ccc1c2cccc1
NSC Number:
106680
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of new Reissert analogs as HIV-1 RT inhibitors. 2. Benzo[f]quinoline and pyridine derivatives. | Drug design and discovery 19970401 |
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