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Home Carboxys Isopentyl 7,8-dimethyl-4,5-dioxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-2-carboxylate

Isopentyl 7,8-dimethyl-4,5-dioxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-2-carboxylate

CAS No.:
73080-51-0
Catalog Number:
AG005Y97
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
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Product Description
Catalog Number:
AG005Y97
Chemical Name:
Isopentyl 7,8-dimethyl-4,5-dioxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-2-carboxylate
CAS Number:
73080-51-0
Molecular Formula:
C20H21NO5
Molecular Weight:
355.3844
MDL Number:
MFCD00867034
IUPAC Name:
3-methylbutyl 7,8-dimethyl-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylate
InChI:
InChI=1S/C20H21NO5/c1-10(2)7-8-25-20(24)15-9-14(22)16-18(26-15)13-6-5-11(3)12(4)17(13)21-19(16)23/h5-6,9-10H,7-8H2,1-4H3,(H,21,23)
InChI Key:
NFQIAEMCQGTTIR-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)c1cc(=O)c2c(o1)c1ccc(c(c1[nH]c2=O)C)C)C
UNII:
4K8KA8B61G
Properties
Complexity:
690  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.142g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
355.39g/mol
Monoisotopic Mass:
355.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Quinolones: from antibiotics to autoinducers. FEMS microbiology reviews 20110301
A late cutaneous response in actively sensitized rats: a new method for evaluating the efficacy of antiallergic drugs. Journal of pharmacological sciences 20060801
Properties