CCC(=O)C1=C2C=CC(=O)N(C2=CC(=C1)OC)CCN3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5.Cl
이름: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-5-propanoylquinolin-2-one;hydrochloride
SMILES: CCC(=O)C1=C2C=CC(=O)N(C2=CC(=C1)OC)CCN3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5.Cl

Molecular Processing

Molecular formula
C29H36ClN3O5
Molecular weight
542.08
Exact mass
541.2343
XLogP
4.05
TPSA
82.03
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.448
Molar refractivity
150.36

Supplementary Information

InChIKey: HDCBIJIPYDSYBV-UHFFFAOYSA-N
동의어
SCHEMBL2798779HDCBIJIPYDSYBV-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-5-propionyl-1,2-dihydro-2-oxoquinoline hydrochloride
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