CCCC(=O)C1=C(C2=CC=CC(=C2N=C1)C)Cl
Name: 1-(4-chloro-8-methylquinolin-3-yl)butan-1-one
SMILES: CCCC(=O)C1=C(C2=CC=CC(=C2N=C1)C)Cl

Molecular Processing

Molecular formula
C14H14ClNO
Molecular weight
247.72
Exact mass
247.0764
XLogP
4.18
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
70.73

Supplementary Information

InChIKey: RXOVQHSFOZRJPT-UHFFFAOYSA-N
Synonyme
SCHEMBL9652797RXOVQHSFOZRJPT-UHFFFAOYSA-N3-butyryl-4-chloro-8-methylquinoline
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