CCOCc1nc2cnc3cc(Br)ccc3c2n1CC1CCCCC1
Name: 7-bromo-1-(cyclohexylmethyl)-2-(ethoxymethyl)imidazo[4,5-c]quinoline
SMILES: CCOCc1nc2cnc3cc(Br)ccc3c2n1CC1CCCCC1

Molecular Processing

Molecular formula
C20H24BrN3O
Molecular weight
402.34
Exact mass
401.1103
XLogP
5.46
TPSA
39.94
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
104.64

Supplementary Information

InChIKey: GHRXNTKZXNBCOC-UHFFFAOYSA-N
Synonyme
GHRXNTKZXNBCOC-UHFFFAOYSA-N7-bromo-1-cylcohexylmethyl-2-ethoxymethyl-1H-imidazo[4,5-c]quinoline
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