Name: 1-(6-hydroxy-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
SMILES:
CC(=O)N1C2=C(C=C(C=C2)O)C(CC1(C)C)(C)C3=CC=CC=C3Molecular Processing
Molecular formula
C20H23NO2
Molecular weight
309.41
Exact mass
309.1729
XLogP
4.23
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
92.86
Supplementary Information
InChIKey: YIPDIHSVBRGRSA-UHFFFAOYSA-N
Synonyme
SCHEMBL1322362YIPDIHSVBRGRSA-UHFFFAOYSA-NSTL6058471-Acetyl-6-hydroxy-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline1-(6-hydroxy-2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
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