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85139-11-3 | 2,2'-iminodiquinolin-8-ol
CAS No: 85139-11-3 Catalog No: AG00J8PN MDL No:MFCD00168942
Product Description
Catalog Number:
AG00J8PN
Chemical Name:
2,2'-iminodiquinolin-8-ol
CAS Number:
85139-11-3
Molecular Formula:
C18H13N3O2
Molecular Weight:
303.3147
MDL Number:
MFCD00168942
IUPAC Name:
2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
InChI:
InChI=1S/C18H13N3O2/c22-13-5-1-3-11-7-9-15(20-17(11)13)19-16-10-8-12-4-2-6-14(23)18(12)21-16/h1-10,22-23H,(H,19,20,21)
InChI Key:
XODXDUUPXGKMFO-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1nc(cc2)Nc1ccc2c(n1)c(O)ccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.321g/mol
Monoisotopic Mass:
303.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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