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Home > Quinoline > 1269515-04-9
1269515-04-9 | 1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-4-(3-phenylpropyl)-
CAS No: 1269515-04-9 Catalog No: AG000WGP MDL No:
Product Description
Catalog Number:
AG000WGP
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-4-(3-phenylpropyl)-
CAS Number:
1269515-04-9
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
2-hydroxy-4-(3-phenylpropyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C18H17NO3/c20-17-15-11-5-4-10-14(15)16(18(21)19(17)22)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,16,22H,6,9,12H2
InChI Key:
SOVBJVBVPHFNES-UHFFFAOYSA-N
SMILES:
ON1C(=O)C(CCCc2ccccc2)c2c(C1=O)cccc2
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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