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32668-78-3 | Quinoline, 8-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS No: 32668-78-3 Catalog No: AG007J1J MDL No:
Product Description
Catalog Number:
AG007J1J
Chemical Name:
Quinoline, 8-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
32668-78-3
Molecular Formula:
C15H14N2
Molecular Weight:
222.2851
IUPAC Name:
8-(2,5-dimethylpyrrol-1-yl)quinoline
InChI:
InChI=1S/C15H14N2/c1-11-8-9-12(2)17(11)14-7-3-5-13-6-4-10-16-15(13)14/h3-10H,1-2H3
InChI Key:
JPFAPVLEUPXWEO-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1c1cccc2c1nccc2)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.291g/mol
Monoisotopic Mass:
222.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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