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Home > Quinoline > 333759-52-7
333759-52-7 | 3-(3-hydroxyphenyl)-3,4-dihydrobenzo[f]quinolin-1(2H)-one
CAS No: 333759-52-7 Catalog No: AG00C8VQ MDL No:MFCD01540875
Product Description
Catalog Number:
AG00C8VQ
Chemical Name:
3-(3-hydroxyphenyl)-3,4-dihydrobenzo[f]quinolin-1(2H)-one
CAS Number:
333759-52-7
Molecular Formula:
C19H15NO2
Molecular Weight:
289.3279
MDL Number:
MFCD01540875
IUPAC Name:
3-(3-hydroxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
InChI:
InChI=1S/C19H15NO2/c21-14-6-3-5-13(10-14)17-11-18(22)19-15-7-2-1-4-12(15)8-9-16(19)20-17/h1-10,17,20-21H,11H2
InChI Key:
QLTUILRZWVWQLC-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C1CC(=O)c2c(N1)ccc1c2cccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.334g/mol
Monoisotopic Mass:
289.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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