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336176-71-7

336176-71-7 | 1(2H)-Quinolinecarboxamide, 6-methoxy-2,2,4-trimethyl-N-phenyl-

CAS No: 336176-71-7 Catalog No: AG007DIR MDL No:

Product Description

Catalog Number:
AG007DIR
Chemical Name:
1(2H)-Quinolinecarboxamide, 6-methoxy-2,2,4-trimethyl-N-phenyl-
CAS Number:
336176-71-7
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
6-methoxy-2,2,4-trimethyl-N-phenylquinoline-1-carboxamide
InChI:
InChI=1S/C20H22N2O2/c1-14-13-20(2,3)22(18-11-10-16(24-4)12-17(14)18)19(23)21-15-8-6-5-7-9-15/h5-13H,1-4H3,(H,21,23)
InChI Key:
GYVNXQFOPMKZKX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=CC(N2C(=O)Nc1ccccc1)(C)C)C

Properties

Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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

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