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Home > Quinoline > 1391440-71-3
1391440-71-3 | (1S,3S)-1,3-diallyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 1391440-71-3 Catalog No: AG00JCZ8 MDL No:MFCD02932322
Product Description
Catalog Number:
AG00JCZ8
Chemical Name:
(1S,3S)-1,3-diallyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1391440-71-3
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
MDL Number:
MFCD02932322
IUPAC Name:
(1S,3S)-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H19N/c1-3-7-13-11-12-9-5-6-10-14(12)15(16-13)8-4-2/h3-6,9-10,13,15-16H,1-2,7-8,11H2/t13-,15-/m0/s1
InChI Key:
LKIGZPJQDYMQKT-ZFWWWQNUSA-N
SMILES:
C=CC[C@@H]1N[C@@H](CC=C)c2c(C1)cccc2
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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