COC(=O)C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3C=C2
Nombre: methyl 4-(2-quinolin-2-ylethyl)benzoate
SMILES: COC(=O)C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3C=C2

Molecular Processing

Molecular formula
C19H17NO2
Molecular weight
291.35
Exact mass
291.1259
XLogP
3.81
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
86.93

Supplementary Information

InChIKey: LHTARPJACBNIFZ-UHFFFAOYSA-N
Sinónimos
SCHEMBL3270954LHTARPJACBNIFZ-UHFFFAOYSA-N4-(2-Quinolin-2-yl-ethyl)-benzoic acid methyl ester
Ver fuente →
Participa en 5 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→