COC1=CC2=C(C=C1)C=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=N4)OCCO5
CAS: 917344-78-6
Name: 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
SMILES: COC1=CC2=C(C=C1)C=CC(=O)N2CCN3CCC(CC3)NCC4=CC5=C(C=N4)OCCO5

Molecular Processing

Molecular formula
C25H30N4O4
Molecular weight
450.54
Exact mass
450.2267
XLogP
2.43
TPSA
77.85
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
126.29

Supplementary Information

InChIKey: ROIIFEUOHMKQCJ-UHFFFAOYSA-N
Synonyme
CHEMBL19165391-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-7-methoxyquinolin-2(1H)-one1-(2-(4-((2,3-dihydro(1,4)dioxino(2,3-c)pyridin-7-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxyquinolin-2(1H)-oneSCHEMBL705357ROIIFEUOHMKQCJ-UHFFFAOYSA-NBDBM50357927917344-78-6DB-322365
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