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22048-79-9 | 5-[(Benzyloxy)methyl]quinolin-8-ol
CAS No: 22048-79-9 Catalog No: AG00I4BB MDL No:MFCD00843667
Product Description
Catalog Number:
AG00I4BB
Chemical Name:
5-[(Benzyloxy)methyl]quinolin-8-ol
CAS Number:
22048-79-9
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
MDL Number:
MFCD00843667
IUPAC Name:
5-(phenylmethoxymethyl)quinolin-8-ol
InChI:
InChI=1S/C17H15NO2/c19-16-9-8-14(15-7-4-10-18-17(15)16)12-20-11-13-5-2-1-3-6-13/h1-10,19H,11-12H2
InChI Key:
CXIAXDRSZAWSDB-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1nccc2)COCc1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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