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333759-45-8 | 3-Pyridin-3-yl-3,4-dihydro-2H-benzo[f]quinolin-1-one
CAS No: 333759-45-8 Catalog No: AG01EVEY MDL No:
Product Description
Catalog Number:
AG01EVEY
Chemical Name:
3-Pyridin-3-yl-3,4-dihydro-2H-benzo[f]quinolin-1-one
CAS Number:
333759-45-8
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
3-pyridin-3-yl-3,4-dihydro-2H-benzo[f]quinolin-1-one
InChI:
InChI=1S/C18H14N2O/c21-17-10-16(13-5-3-9-19-11-13)20-15-8-7-12-4-1-2-6-14(12)18(15)17/h1-9,11,16,20H,10H2
InChI Key:
YLRGNLPUITYATC-UHFFFAOYSA-N
SMILES:
O=C1CC(Nc2c1c1ccccc1cc2)c1cccnc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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