Name: N-(4-chlorobenzyl)-8-fluoro-4-hydroxy-6-(4-morpholinylmethyl)-3-quinolinecarboxamide
SMILES:
O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(CN3CCOCC3)cc2c1OMolecular Processing
Molecular formula
C22H21ClFN3O3
Molecular weight
429.88
Exact mass
429.1255
XLogP
3.5
TPSA
74.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
112.08
Supplementary Information
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