7-(3,5-Dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-2H-imidazo[4,5-c]quinolin-2-one


Chemical Name: 7-(3,5-Dimethyl-4-isoxazolyl)-1,3-dihydro-8-methoxy-1-[(1R)-1-(2-pyridinyl)ethyl]-2H-imidazo[4,5-c]quinolin-2-one
CAS Number: 1300031-49-5
Product Number: AG000TW9(AGN-PC-0WAC3D)
Synonyms:
MDL No:
Molecular Formula: C23H21N5O3
Molecular Weight: 415.4445

Identification/Properties


Computed Properties
Molecular Weight:
415.453g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
415.164g/mol
Monoisotopic Mass:
415.164g/mol
Topological Polar Surface Area:
93.4A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
665
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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