Nombre: 6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinoline-3-carbonitrile

SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2N3CCN(CC3)C(=O)C4=CC=CS4)C#N

Molecular Processing

Molecular formula

C20H18N4O2S

Molecular weight

378.46

Exact mass

378.115

XLogP

2.73

TPSA

80.2

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

0.25

Molar refractivity

106.46

Supplementary Information

InChIKey: JVHWXUFUZSTGQY-UHFFFAOYSA-N

Sinónimos

SCHEMBL5526135JVHWXUFUZSTGQY-UHFFFAOYSA-N6-Methyl-2-oxo-4-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-1,2-dihydro-quinolin-3-carbonitrile