Name: 4-(3-ethoxy-phenyl)-6-(hydroxy-di-pyridin-3-yl-methyl)-1H-quinolin-2-one
SMILES:
CCOc1cccc(-c2cc(=O)[nH]c3ccc(C(O)(c4cccnc4)c4cccnc4)cc23)c1Molecular Processing
Molecular formula
C28H23N3O3
Molecular weight
449.51
Exact mass
449.1739
XLogP
4.67
TPSA
88.1
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.107
Molar refractivity
131.75
Supplementary Information
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Involved in 6 reactions→