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Home > Quinoline > 851176-03-9
851176-03-9 | 4-(furan-2-yl)-5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS No: 851176-03-9 Catalog No: AG019NT1 MDL No:MFCD06373481
Product Description
Catalog Number:
AG019NT1
Chemical Name:
4-(furan-2-yl)-5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Number:
851176-03-9
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
MDL Number:
MFCD06373481
IUPAC Name:
4-(furan-2-yl)-5-oxo-2-sulfanylidene-1,6,7,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C14H10N2O2S/c15-7-8-12(11-5-2-6-18-11)13-9(16-14(8)19)3-1-4-10(13)17/h2,5-6H,1,3-4H2,(H,16,19)
InChI Key:
QGTPNHGVKGCKQQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(S)nc2c(c1c1ccco1)C(=O)CCC2
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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