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Home > Quinoline > 1269514-99-9
1269514-99-9 | 1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-4-(phenylmethyl)-
CAS No: 1269514-99-9 Catalog No: AG000WGR MDL No:
Product Description
Catalog Number:
AG000WGR
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-hydroxy-4-(phenylmethyl)-
CAS Number:
1269514-99-9
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
4-benzyl-2-hydroxy-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)14(16(19)17(15)20)10-11-6-2-1-3-7-11/h1-9,14,20H,10H2
InChI Key:
CQRJJCOXTANWNP-UHFFFAOYSA-N
SMILES:
ON1C(=O)C(Cc2ccccc2)c2c(C1=O)cccc2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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