CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCN3CCC(CC3)(C)NCC4=CC5=C(C=C4)OCCO5
Nombre: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-methylpiperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one
SMILES: CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCN3CCC(CC3)(C)NCC4=CC5=C(C=C4)OCCO5

Molecular Processing

Molecular formula
C28H35N3O4
Molecular weight
477.61
Exact mass
477.2628
XLogP
3.73
TPSA
64.96
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
137.85

Supplementary Information

InChIKey: MCBIYPUPVSZDNJ-UHFFFAOYSA-N
Sinónimos
SCHEMBL2800565MCBIYPUPVSZDNJ-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)-4-methylpiperidin-1-yl)ethyl)-7-methoxy-4-methylquinolin-2(1H)-one
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