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Home > Quinoline > 1269515-03-8
1269515-03-8 | 1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-4-(2-phenylethyl)-
CAS No: 1269515-03-8 Catalog No: AG000WGQ MDL No:
Product Description
Catalog Number:
AG000WGQ
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-4-(2-phenylethyl)-
CAS Number:
1269515-03-8
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
2-hydroxy-4-(2-phenylethyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C17H15NO3/c19-16-14-9-5-4-8-13(14)15(17(20)18(16)21)11-10-12-6-2-1-3-7-12/h1-9,15,21H,10-11H2
InChI Key:
VNXVBOYKVGHWLL-UHFFFAOYSA-N
SMILES:
ON1C(=O)C(CCc2ccccc2)c2c(C1=O)cccc2
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| 2-hydroxyisoquinoline-1,3(2H,4H)-diones as inhibitors of HIV-1 integrase and reverse transcriptase RNase H domain: influence of the alkylation of position 4. | European journal of medicinal chemistry 20110201 |
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