CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)N
Name: 3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]aniline
SMILES: CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC4=CC(=CC=C4)N

Molecular Processing

Molecular formula
C22H26N4
Molecular weight
346.48
Exact mass
346.2157
XLogP
3.49
TPSA
45.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
109.69

Supplementary Information

InChIKey: CXPIOUOGSWEOAR-UHFFFAOYSA-N
Synonyme
3-(2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}aniline3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}anilineSCHEMBL2878229CHEMBL1631534CXPIOUOGSWEOAR-UHFFFAOYSA-N3-{2-[4-(2-methyl-5-quinolinyl)-1-piperaziny]ethyl}aniline
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