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21516-07-4 | 2,3-dihydrobenzo[g]quinolin-4(1H)-one
CAS No: 21516-07-4 Catalog No: AG00BERY MDL No:MFCD00552977
Product Description
Catalog Number:
AG00BERY
Chemical Name:
2,3-dihydrobenzo[g]quinolin-4(1H)-one
CAS Number:
21516-07-4
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD00552977
IUPAC Name:
2,3-dihydro-1H-benzo[g]quinolin-4-one
InChI:
InChI=1S/C13H11NO/c15-13-5-6-14-12-8-10-4-2-1-3-9(10)7-11(12)13/h1-4,7-8,14H,5-6H2
InChI Key:
AIBRSQPCCIXKIF-UHFFFAOYSA-N
SMILES:
O=C1CCNc2c1cc1ccccc1c2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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