CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC.Cl
Nombre: ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
SMILES: CCOC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OC.Cl

Molecular Processing

Molecular formula
C20H21ClN2O3
Molecular weight
372.85
Exact mass
372.1241
XLogP
4.89
TPSA
60.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
105.96

Supplementary Information

InChIKey: DXCCJYWRCAJAGW-UHFFFAOYSA-N
Sinónimos
CHEMBL552895SCHEMBL11233459DXCCJYWRCAJAGW-UHFFFAOYSA-NEthyl 8-Methoxy-4-[(2-methylphenyl)amino]-3-quinolinecarboxylate Hydrochloride
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