COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)Cl
Name: 4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline
SMILES: COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)Cl

Molecular Processing

Molecular formula
C16H12ClN5O2
Molecular weight
341.76
Exact mass
341.068
XLogP
2.91
TPSA
74.43
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
88.42

Supplementary Information

InChIKey: ZKPHODPMIWSKQC-UHFFFAOYSA-N
Synonyme
SCHEMBL2698767ZKPHODPMIWSKQC-UHFFFAOYSA-N4-((6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinoline
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