Name: N-{7-(Benzyloxy)-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]quinolin-3-yl}propanamide dihydrochloride
SMILES:
CCC(=O)Nc1cnc2cc(OCc3ccccc3)ccc2c1NCC1CCOCC1.Cl.ClMolecular Processing
Molecular formula
C25H31Cl2N3O3
Molecular weight
492.45
Exact mass
491.1742
XLogP
5.84
TPSA
72.48
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.36
Molar refractivity
137.97
Supplementary Information
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