CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCC3(CCC4(CC3)OCCO4)C#N
Name: 8-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILES: CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCC3(CCC4(CC3)OCCO4)C#N

Molecular Processing

Molecular formula
C22H26N2O4
Molecular weight
382.46
Exact mass
382.1893
XLogP
3.54
TPSA
73.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
105.26

Supplementary Information

InChIKey: QDLJVEAVSDQBLW-UHFFFAOYSA-N
Synonyme
SCHEMBL2800484QDLJVEAVSDQBLW-UHFFFAOYSA-N8-(2-(7-methoxy-4-methyl-2-oxo-1,2-dihydroquinolin-1-yl)ethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
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