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20886-09-3 | 2(1H)-Quinolinone, 4-(phenylmethoxy)-
CAS No: 20886-09-3 Catalog No: AG002JX7 MDL No:
Product Description
Catalog Number:
AG002JX7
Chemical Name:
2(1H)-Quinolinone, 4-(phenylmethoxy)-
CAS Number:
20886-09-3
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
4-phenylmethoxy-1H-quinolin-2-one
InChI:
InChI=1S/C16H13NO2/c18-16-10-15(13-8-4-5-9-14(13)17-16)19-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18)
InChI Key:
NBOGRLJYZYXAQC-UHFFFAOYSA-N
SMILES:
O=c1cc(OCc2ccccc2)c2c([nH]1)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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