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Home > Quinoline > 146743-91-1
146743-91-1 | 3-Isoquinolinecarboxamide, 6,7-dihydroxy-N-(phenylmethyl)-
CAS No: 146743-91-1 Catalog No: AG001EAC MDL No:
Product Description
Catalog Number:
AG001EAC
Chemical Name:
3-Isoquinolinecarboxamide, 6,7-dihydroxy-N-(phenylmethyl)-
CAS Number:
146743-91-1
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
N-benzyl-6,7-dihydroxyisoquinoline-3-carboxamide
InChI:
InChI=1S/C17H14N2O3/c20-15-7-12-6-14(18-10-13(12)8-16(15)21)17(22)19-9-11-4-2-1-3-5-11/h1-8,10,20-21H,9H2,(H,19,22)
InChI Key:
CYMDDJODSVMYBQ-UHFFFAOYSA-N
SMILES:
O=C(c1ncc2c(c1)cc(c(c2)O)O)NCc1ccccc1
NSC Number:
666245
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Hydroxylated aromatic inhibitors of HIV-1 integrase. | Journal of medicinal chemistry 19951013 |
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