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1026-05-7 | 4-Quinolinamine, 1,2,3,4-tetrahydro-2-methyl-N-phenyl-
CAS No: 1026-05-7 Catalog No: AG0007W5 MDL No:MFCD00183927
Product Description
Catalog Number:
AG0007W5
Chemical Name:
4-Quinolinamine, 1,2,3,4-tetrahydro-2-methyl-N-phenyl-
CAS Number:
1026-05-7
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
MDL Number:
MFCD00183927
IUPAC Name:
2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
InChI:
InChI=1S/C16H18N2/c1-12-11-16(18-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12,16-18H,11H2,1H3
InChI Key:
FTECJLOPKLYFII-UHFFFAOYSA-N
SMILES:
CC1CC(Nc2ccccc2)c2c(N1)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
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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