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17999-90-5 | 2,3'-Biquinoline, 6,6'-dimethyl-
CAS No: 17999-90-5 Catalog No: AG0021JL MDL No:
Product Description
Catalog Number:
AG0021JL
Chemical Name:
2,3'-Biquinoline, 6,6'-dimethyl-
CAS Number:
17999-90-5
Molecular Formula:
C20H16N2
Molecular Weight:
284.3544
IUPAC Name:
6-methyl-2-(6-methylquinolin-3-yl)quinoline
InChI:
InChI=1S/C20H16N2/c1-13-4-7-19-15(9-13)5-8-20(22-19)17-11-16-10-14(2)3-6-18(16)21-12-17/h3-12H,1-2H3
InChI Key:
RELPAADHYVFUHC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(n2)c1cnc2c(c1)cc(cc2)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.362g/mol
Monoisotopic Mass:
284.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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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