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Home > Indoles and Oxindole > 13436-67-4
13436-67-4 | 1,1,3,3,5-Pentamethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3- b ]indole
CAS No: 13436-67-4 Catalog No: AG01ESAE MDL No:
Product Description
Catalog Number:
AG01ESAE
Chemical Name:
1,1,3,3,5-Pentamethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3- b ]indole
CAS Number:
13436-67-4
Molecular Formula:
C16H22N2
Molecular Weight:
242.3593
IUPAC Name:
1,1,3,3,5-pentamethyl-2,4-dihydropyrido[4,3-b]indole
InChI:
InChI=1S/C16H22N2/c1-15(2)10-13-14(16(3,4)17-15)11-8-6-7-9-12(11)18(13)5/h6-9,17H,10H2,1-5H3
InChI Key:
QUMRKMXQBQUURH-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2c2c1CC(C)(C)NC2(C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.366g/mol
Monoisotopic Mass:
242.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17A^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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