Name: N-[6-(4-ethylsulfonylpiperazin-1-yl)hexyl]-6-methoxy-4-methylquinolin-8-amine
SMILES:
CCS(=O)(=O)N1CCN(CC1)CCCCCCNC2=CC(=CC3=C(C=CN=C23)C)OCMolecular Processing
Molecular formula
C23H36N4O3S
Molecular weight
448.63
Exact mass
448.2508
XLogP
3.49
TPSA
74.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
127.46
Supplementary Information
InChIKey: OYXICQJXPKBUAF-UHFFFAOYSA-N
Synonyms
CHEMBL430595SCHEMBL10735521OYXICQJXPKBUAF-UHFFFAOYSA-N4-(Ethylsulfonyl)-N-(6-methoxy-4-methyl-8-quinolinyl)-1-piperazinehexan-amine
Involved in 2 reactions→