C1CN(CCC1NCC2=CC3=C(C=N2)OCCO3)CCN4C5=C(C=CC(=C5)C#N)N=CC4=O
Name: 4-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3-oxoquinoxaline-6-carbonitrile
SMILES: C1CN(CCC1NCC2=CC3=C(C=N2)OCCO3)CCN4C5=C(C=CC(=C5)C#N)N=CC4=O

Molecular Processing

Molecular formula
C24H26N6O3
Molecular weight
446.51
Exact mass
446.2066
XLogP
1.69
TPSA
105.3
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
122.25

Supplementary Information

InChIKey: CWQNGTSONSCQSM-UHFFFAOYSA-N
Synonyme
SCHEMBL2797844CWQNGTSONSCQSM-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-dioxino[2,3-c]pyridin-7-yl)methylamino)piperidin-1-yl)ethyl)-7-cyanoquinoxalin-2(1H)-one
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