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Home > Quinoline > 146743-94-4
146743-94-4 | 3-Isoquinolinecarboxamide, 7,8-dihydroxy-N-(2-phenylethyl)-
CAS No: 146743-94-4 Catalog No: AG001EAB MDL No:
Product Description
Catalog Number:
AG001EAB
Chemical Name:
3-Isoquinolinecarboxamide, 7,8-dihydroxy-N-(2-phenylethyl)-
CAS Number:
146743-94-4
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
IUPAC Name:
7,8-dihydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide
InChI:
InChI=1S/C18H16N2O3/c21-16-7-6-13-10-15(20-11-14(13)17(16)22)18(23)19-9-8-12-4-2-1-3-5-12/h1-7,10-11,21-22H,8-9H2,(H,19,23)
InChI Key:
CEUNWOFTYKAWDL-UHFFFAOYSA-N
SMILES:
O=C(c1ncc2c(c1)ccc(c2O)O)NCCc1ccccc1
NSC Number:
666244
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Hydroxylated aromatic inhibitors of HIV-1 integrase. | Journal of medicinal chemistry 19951013 |
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