COC1=CC2=C(C=C1)N=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(CCC(=O)N5)C=C4.Cl
الاسم: 7-methoxy-1-[2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methylamino]piperidin-1-yl]ethyl]quinoxalin-2-one;hydrochloride
SMILES: COC1=CC2=C(C=C1)N=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(CCC(=O)N5)C=C4.Cl

Molecular Processing

Molecular formula
C26H32ClN5O3
Molecular weight
498.03
Exact mass
497.2194
XLogP
2.97
TPSA
88.49
H-bond donors
2
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
9
Covalent units
2
Fraction Csp3
0.423
Molar refractivity
139.5

Supplementary Information

InChIKey: JBBMVRUPURMXIO-UHFFFAOYSA-N
مرادفات
SCHEMBL2796679JBBMVRUPURMXIO-UHFFFAOYSA-N7-methoxy-1-(2-(4-((2-oxo-1,2,3,4-tetrahydroquinolin-7-ylmethyl)amino)piperidin-1-yl)ethyl)quinoxalin-2(1H)-one hydrochloride
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