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Home > Quinoline > 189816-04-4
189816-04-4 | 4-Quinolinol, 7-methoxy-2-phenyl-
CAS No: 189816-04-4 Catalog No: AG002E0H MDL No:
Product Description
Catalog Number:
AG002E0H
Chemical Name:
4-Quinolinol, 7-methoxy-2-phenyl-
CAS Number:
189816-04-4
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
7-methoxy-2-phenyl-1H-quinolin-4-one
InChI:
InChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChI Key:
JZVUAOCDNFNSGQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(cc2O)c1ccccc1
NSC Number:
151980
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis of novel potent hepatitis C virus NS3 protease inhibitors: discovery of 4-hydroxy-cyclopent-2-ene-1,2-dicarboxylic acid as a N-acyl-L-hydroxyproline bioisostere. | Bioorganic & medicinal chemistry 20070115 |
| A systematic approach to the optimization of substrate-based inhibitors of the hepatitis C virus NS3 protease: discovery of potent and specific tripeptide inhibitors. | Journal of medicinal chemistry 20041216 |
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