C1CN(CCC1NCC2=CC3=C(C=C2)OCCO3)CCN4C5=CC=CC=C5C(=CC4=O)C6=CC=NC=C6.Cl
الاسم: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-pyridin-4-ylquinolin-2-one;hydrochloride
SMILES: C1CN(CCC1NCC2=CC3=C(C=C2)OCCO3)CCN4C5=CC=CC=C5C(=CC4=O)C6=CC=NC=C6.Cl

Molecular Processing

Molecular formula
C30H33ClN4O3
Molecular weight
533.07
Exact mass
532.2241
XLogP
4.51
TPSA
68.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
152.42

Supplementary Information

InChIKey: GMWIOMYMZBAGHM-UHFFFAOYSA-N
مرادفات
SCHEMBL2798063GMWIOMYMZBAGHM-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-4-(pyridin-4-yl)quinolin-2(1H)-one hydrochloride
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