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Home > Quinoline > 937169-58-9
937169-58-9 | 8-Methyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CAS No: 937169-58-9 Catalog No: AG01EZDQ MDL No:
Product Description
Catalog Number:
AG01EZDQ
Chemical Name:
8-Methyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydro-furo[3,2-c]quinoline
CAS Number:
937169-58-9
Molecular Formula:
C16H17NOS
Molecular Weight:
271.3773
IUPAC Name:
8-methyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
InChI:
InChI=1S/C16H17NOS/c1-10-4-5-13-12(9-10)16-11(6-7-18-16)15(17-13)14-3-2-8-19-14/h2-5,8-9,11,15-17H,6-7H2,1H3
InChI Key:
IHRUTULGRMGZGQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C1OCCC1C(N2)c1cccs1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.378g/mol
Monoisotopic Mass:
271.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
3
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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