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2-(6-Methoxy-naphthalen-2-yl)-quinoline-4-carboxylic acid

CAS No.:
327105-96-4
Catalog Number:
AG00I68S
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
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Product Description
Catalog Number:
AG00I68S
Chemical Name:
2-(6-Methoxy-naphthalen-2-yl)-quinoline-4-carboxylic acid
CAS Number:
327105-96-4
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
MDL Number:
MFCD02708414
IUPAC Name:
2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C21H15NO3/c1-25-16-9-8-13-10-15(7-6-14(13)11-16)20-12-18(21(23)24)17-4-2-3-5-19(17)22-20/h2-12H,1H3,(H,23,24)
InChI Key:
GOGMULHCVISZHY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)c1nc2ccccc2c(c1)C(=O)O
Properties
Complexity:
482  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties