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

Molecular Processing

Molecular formula
C28H35ClN4O5
Molecular weight
543.06
Exact mass
542.2296
XLogP
2.82
TPSA
94.06
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
149.13

Supplementary Information

InChIKey: GFWRDNVOMWBOKK-UHFFFAOYSA-N
Synonyms
SCHEMBL2797426GFWRDNVOMWBOKK-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-N-methyl-2-oxo-1,2-dihydroquinoline-5-carboxamide hydrochloride
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Involved in 2 reactions→

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