COC1=CC2=C(C=C1)C=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5.Cl
Name: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one;hydrochloride
SMILES: COC1=CC2=C(C=C1)C=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5.Cl

Molecular Processing

Molecular formula
C26H32ClN3O4
Molecular weight
486.01
Exact mass
485.2081
XLogP
3.46
TPSA
64.96
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.423
Molar refractivity
135.74

Supplementary Information

InChIKey: FEYAXHNHJIPVRT-UHFFFAOYSA-N
Synonyms
SCHEMBL2798526FEYAXHNHJIPVRT-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxyquinolin-2(1H)-one hydrochloride
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Involved in 2 reactions→

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