Nombre: ethyl 2-[[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]amino]acetate

SMILES: CCOC(=O)CNC1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C#N

Molecular Processing

Molecular formula

C23H25N3O3

Molecular weight

391.47

Exact mass

391.1896

XLogP

3.45

TPSA

82.43

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.348

Molar refractivity

111.72

Supplementary Information

InChIKey: GNPLTAHTRIJVPR-UHFFFAOYSA-N

Sinónimos

SCHEMBL6976282