Name: 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-1-methylpiperazin-2-one
SMILES:
Cc1c(N2CCN(C)C(=O)C2)nc2cc(F)cc(F)c2c1ClMolecular Processing
Molecular formula
C15H14ClF2N3O
Molecular weight
325.75
Exact mass
325.0793
XLogP
2.75
TPSA
36.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
81.26
Supplementary Information
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